Geometry & MOs

Info

ID:	391070
PubChem CID:	135002608
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	370.131742
ΔH_f, kcal/mol:	-100.91
Dipole, Da:	3.23
IP(EA), eV:	-10.2(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzoyl-4-nitro-2,3-diphenylbutanenitrile

Drug info:

PubChemData

Smile

CCOC(=O)[C@](C#N)([C@@H]1CC(=O)N(C1=O)CC=C)C2=CC=CC=C2

DOS

IR

Vibrations