Geometry & MOs

Info

ID:	273576
PubChem CID:	103771406
Reduced:	NCl2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-96.29
Dipole, Da:	2.34
IP(EA), eV:	-9.7(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations