Geometry & MOs

Info

ID:	140733
PubChem CID:	52748536
Reduced:	OSN4C15H27 (1)
Stoich.:	ABC4D15E27 (1)
Weight, g/mol:	401.140927
ΔH_f, kcal/mol:	-16.01
Dipole, Da:	3.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755044
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C[NH+]1CCCN(CC1)C2=NC(=CS2)C

DOS

IR

Vibrations