Geometry & MOs

Info

ID:	318516
PubChem CID:	126651620
Reduced:	N2O3C27H30 (1)
Stoich.:	A2B3C27D30 (1)
Weight, g/mol:	1521.647801
ΔH_f, kcal/mol:	-66.54
Dipole, Da:	6.35
IP(EA), eV:	-8.23(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[4-[1-[4-[4-(N-methylanilino)phenyl]phenyl]benzo[b]carbazol-5-yl]phenyl]-N-[4-[5-[4-[3-(N-[4-[4-(9-methylcarbazol-4-yl)phenyl]phenyl]anilino)phenyl]phenyl]benzo[b]carbazol-1-yl]phenyl]aniline

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

CC1=C(C=CC(=C1)N2CCC(C2=O)OC3=CC=C(C=C3)C4=CC=NC=C4)OCC(C)(C)C

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

CC1=C(C=CC(=C1)N2CCC(C2=O)OC3=CC=C(C=C3)C4=CC=NC=C4)OCC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):