Geometry & MOs

Info

ID:	290031
PubChem CID:	104399717
Reduced:	N4O4C13H20 (1)
Stoich.:	A4B4C13D20 (1)
Weight, g/mol:	343.05315
ΔH_f, kcal/mol:	-92.74
Dipole, Da:	5.09
IP(EA), eV:	-9.65(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-nitroanilino)-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C(C)NC1=C(C=CC(=N1)OC)[N+](=O)[O-]

DOS

IR

Vibrations