Geometry & MOs

Info

ID:	69765
PubChem CID:	47205349
Reduced:	N2O3C14H16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	-79.73
Dipole, Da:	6.47
IP(EA), eV:	-9.91(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanopropyl)-N-methyl-4-(methylamino)-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC(CN(C)C(=O)C1=CC=C(C=C1)C(=O)OC)C#N

DOS

IR

Vibrations