Geometry & MOs

Info

ID:	273560
PubChem CID:	103771380
Reduced:	NOC6H13 (2)
Stoich.:	ABC6D13 (2)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	-140.61
Dipole, Da:	3.85
IP(EA), eV:	-9.48(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)CNC(C)(C)C)O

DOS

IR

Vibrations