Geometry & MOs

Info

ID:	273342
PubChem CID:	103770933
Reduced:	NO2C12H25 (1)
Stoich.:	AB2C12D25 (1)
Weight, g/mol:	300.087685
ΔH_f, kcal/mol:	-145.62
Dipole, Da:	2.39
IP(EA), eV:	-9.63(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C)C(=O)NCC(CC(C)C)O

DOS

IR

Vibrations