Geometry & MOs

Info

ID:	273348
PubChem CID:	103770946
Reduced:	N2O4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	-82.54
Dipole, Da:	3.39
IP(EA), eV:	-10.04(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-3-methyl-4-nitrobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations