Geometry & MOs

Info

ID:	197436
PubChem CID:	78965655
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	262.085461
ΔH_f, kcal/mol:	-29.99
Dipole, Da:	9.55
IP(EA), eV:	-9.29(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-4-cyanophenyl)-3-cyanobenzamide

Drug info:

PubChemData

Smile

CC(CC(C)(C)OC)NC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

DOS

IR

Vibrations