Geometry & MOs

Info

ID:	282219
PubChem CID:	103919017
Reduced:	NO2C18H29 (1)
Stoich.:	AB2C18D29 (1)
Weight, g/mol:	299.092436
ΔH_f, kcal/mol:	-119.96
Dipole, Da:	4.06
IP(EA), eV:	-9.34(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-N-(6-hydroxyhexyl)-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)CC(=O)NCCCCCCO

DOS

IR

Vibrations