Geometry & MOs

Info

ID:	17763
PubChem CID:	517745
Reduced:	O3N4H12C13 (1)
Stoich.:	A3B4C12D13 (1)
Weight, g/mol:	272.09094
ΔH_f, kcal/mol:	32.5
Dipole, Da:	6.26
IP(EA), eV:	-10.62(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis(2-cyanoethyl)-4-nitrobenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)N(CCC#N)CCC#N)[N+](=O)[O-]

DOS

IR

Vibrations