Geometry & MOs

Info

ID:	443024
PubChem CID:	135257458
Reduced:	NO2C9H9 (1)
Stoich.:	AB2C9D9 (1)
Weight, g/mol:	627.361348
ΔH_f, kcal/mol:	-27.86
Dipole, Da:	2.96
IP(EA), eV:	-9.23(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[4a-cyclooctyl-3-(N-phenylanilino)-2,3,4,9a-tetrahydro-1H-carbazol-9-yl]phenyl]benzonitrile

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C2C1=O)O

DOS

IR

Vibrations