Geometry & MOs

Info

ID:	314110
PubChem CID:	126620448
Reduced:	NOC19H32 (2)
Stoich.:	ABC19D32 (2)
Weight, g/mol:	627.176919
ΔH_f, kcal/mol:	-127.98
Dipole, Da:	1.74
IP(EA), eV:	-8.65(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[3-[2-(2-cyanophenyl)phenyl]-5-dibenzothiophen-2-ylphenyl]carbazole-3-carbonitrile

Drug info:

PubChemData

Smile

CCC(C)(C1CCC(CC1)C(C)(C2CC(NC(C2)(C)C)(C)C)C(=O)OCC3=CC=CC=C3)C4C(CNCC4(C)C)(C)C

DOS

IR

Vibrations