Geometry & MOs

Info

ID:	276422
PubChem CID:	103823196
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	293.112404
ΔH_f, kcal/mol:	-14.06
Dipole, Da:	11.0
IP(EA), eV:	-9.37(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2,2-trimethyl-3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanamide

Drug info:

PubChemData

Smile

CC(C)(CNC1=C(C=C(C=C1)[N+](=O)[O-])C#N)C(=O)NC

DOS

IR

Vibrations