Geometry & MOs

Info

ID:	273277
PubChem CID:	103770812
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	-110.14
Dipole, Da:	2.66
IP(EA), eV:	-9.74(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1CC=CC1)O

DOS

IR

Vibrations