Geometry & MOs

Info

ID:	276851
PubChem CID:	103825463
Reduced:	N4O4C13H18 (1)
Stoich.:	A4B4C13D18 (1)
Weight, g/mol:	211.132077
ΔH_f, kcal/mol:	-92.68
Dipole, Da:	4.06
IP(EA), eV:	-9.44(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-cyanopropanoylamino)-N,2,2-trimethylpropanamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])N)C(=O)NC

DOS

IR

Vibrations