Geometry & MOs

Info

ID:	273552
PubChem CID:	103771356
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	312.114378
ΔH_f, kcal/mol:	-121.91
Dipole, Da:	2.16
IP(EA), eV:	-9.79(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=COC=C1)O

DOS

IR

Vibrations