Geometry & MOs

Info

ID:	316507
PubChem CID:	126631051
Reduced:	N2H30C41 (1)
Stoich.:	A2B30C41 (1)
Weight, g/mol:	1073.33659
ΔH_f, kcal/mol:	176.56
Dipole, Da:	3.01
IP(EA), eV:	-7.93(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]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

CN(C1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=CC5=C4N(C6=CC7=CC=CC=C7C=C56)C8=CC=CC=C8

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

CN(C1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=CC5=C4N(C6=CC7=CC=CC=C7C=C56)C8=CC=CC=C8

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):