Geometry & MOs

Info

ID:	196221
PubChem CID:	78798957
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	313.121512
ΔH_f, kcal/mol:	-98.76
Dipole, Da:	4.32
IP(EA), eV:	-9.11(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-anilinophenyl)-4-cyanobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)NC2C3CC4CC(C3)CC2C4

DOS

IR

Vibrations