Geometry & MOs

Info

ID:	273478
PubChem CID:	103771188
Reduced:	NO2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	312.114378
ΔH_f, kcal/mol:	-169.87
Dipole, Da:	4.15
IP(EA), eV:	-9.85(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-4-methylsulfanyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)CCNC(=O)C1=CC=CO1)O

DOS

IR

Vibrations