Geometry & MOs

Info

ID:	282211
PubChem CID:	103918776
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	-106.3
Dipole, Da:	5.23
IP(EA), eV:	-9.78(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-hydroxyhexyl)-5-methyl-2-nitrobenzamide

Drug info:

PubChemData

Smile

C1C=CCC1C(=O)NCCCCCCO

DOS

IR

Vibrations