Geometry & MOs

Info

ID:	393666
PubChem CID:	135021454
Reduced:	ON2H16C17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	310.095357
ΔH_f, kcal/mol:	34.8
Dipole, Da:	2.32
IP(EA), eV:	-8.13(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methoxy-2-nitrophenyl)-4-oxo-4-phenylbutanenitrile

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC(CC2C#N)C3=CC=CC=C3

DOS

IR

Vibrations