Geometry & MOs

Info

ID:	364702
PubChem CID:	127316002
Reduced:	SO2N3C19H29 (1)
Stoich.:	AB2C3D19E29 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-81.46
Dipole, Da:	3.45
IP(EA), eV:	-8.89(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-N-[2-(2-ethylpiperidin-1-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CCC1CCCCN1CCNC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3

DOS

IR

Vibrations