Geometry & MOs

Info

ID:	273269
PubChem CID:	103770795
Reduced:	N4O4C11H18 (1)
Stoich.:	A4B4C11D18 (1)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	-69.26
Dipole, Da:	5.62
IP(EA), eV:	-10.33(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-3-methyl-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)CN1C=CC(=N1)[N+](=O)[O-])O

DOS

IR

Vibrations