Geometry & MOs

Info

ID:	30712
PubChem CID:	841756
Reduced:	O3N4C16H22 (1)
Stoich.:	A3B4C16D22 (1)
Weight, g/mol:	338.00145
ΔH_f, kcal/mol:	-46.4
Dipole, Da:	3.03
IP(EA), eV:	-9.9(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2C3CC4CC(C3)CC2C4)C

DOS

IR

Vibrations