Geometry & MOs

Info

ID:	442521
PubChem CID:	135252647
Reduced:	O2N7H31C52 (1)
Stoich.:	A2B7C31D52 (1)
Weight, g/mol:	846.321943
ΔH_f, kcal/mol:	230.6
Dipole, Da:	7.18
IP(EA), eV:	-8.78(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[6-[1-methyl-9-[4-(1,5-naphthyridin-4-yl)phenyl]carbazol-3-yl]pyridazin-3-yl]-9-[4-(1,5-naphthyridin-4-yl)phenyl]carbazole

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC(=CC(=C4)C5=CN=C(N=C5)N6C7=CC=CC=C7C(=O)C8=CC=CC=C86)C9=CN=C(N=C9)N1C2=CC=CC=C2C(=O)C2=CC=CC=C21

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC(=CC(=C4)C5=CN=C(N=C5)N6C7=CC=CC=C7C(=O)C8=CC=CC=C86)C9=CN=C(N=C9)N1C2=CC=CC=C2C(=O)C2=CC=CC=C21

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):