Geometry & MOs

Info

ID:	55819
PubChem CID:	17396613
Reduced:	NO4C20H23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	321.139865
ΔH_f, kcal/mol:	-126.1
Dipole, Da:	4.89
IP(EA), eV:	-8.68(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-(2-methylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)NC(=O)COC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations