Geometry & MOs

Info

ID:	69778
PubChem CID:	47205384
Reduced:	N3O3C12H13 (1)
Stoich.:	A3B3C12D13 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	0.56
Dipole, Da:	4.41
IP(EA), eV:	-10.18(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetamido-N-(2-cyanopropyl)-N-methylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations