Geometry & MOs

Info

ID:	273557
PubChem CID:	103771370
Reduced:	NCl2O3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	392.0233
ΔH_f, kcal/mol:	-153.13
Dipole, Da:	3.61
IP(EA), eV:	-9.11(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)CCOC1=CC(=C(C=C1)Cl)Cl)O

DOS

IR

Vibrations