Geometry & MOs

Info

ID:	436759
PubChem CID:	135211211
Reduced:	FNH24C25 (1)
Stoich.:	ABC24D25 (1)
Weight, g/mol:	463.273596
ΔH_f, kcal/mol:	81.78
Dipole, Da:	4.46
IP(EA), eV:	-9.05(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6,6-trimethyl-8-(4-pyrrolidin-1-ylpiperidin-1-yl)-11H-benzo[b]carbazole-3,9-dicarbonitrile

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C#CF)C=C)C/C(=C(\C)/C2=C(C=C(C=C2)C#N)C)/C

DOS

IR

Vibrations