Geometry & MOs

Info

ID:	311658
PubChem CID:	126596842
Reduced:	BrNO2C9H12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	613.215412
ΔH_f, kcal/mol:	-77.62
Dipole, Da:	2.54
IP(EA), eV:	-8.63(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(carbazol-9-ylmethyl)-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)benzonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CNC1CBr

DOS

IR

Vibrations