Geometry & MOs

Info

ID:	273558
PubChem CID:	103771372
Reduced:	IN2O4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-76.16
Dipole, Da:	3.99
IP(EA), eV:	-10.1(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])I)O

DOS

IR

Vibrations