Geometry & MOs

Info

ID:	399974
PubChem CID:	135044268
Reduced:	ClOC18H19 (1)
Stoich.:	ABC18D19 (1)
Weight, g/mol:	350.141913
ΔH_f, kcal/mol:	-13.25
Dipole, Da:	4.15
IP(EA), eV:	-9.42(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1R)-4-oxo-5,5-diphenylcyclopent-2-en-1-yl]amino]benzonitrile

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)C(C)(C)C(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations