Geometry & MOs

Info

ID:	69763
PubChem CID:	47205347
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	-0.07
Dipole, Da:	8.1
IP(EA), eV:	-8.56(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanopropyl)-N,4-dimethyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)C(=O)N(C)CC(C)C#N)C

DOS

IR

Vibrations