Geometry & MOs

Info

ID:	132229
PubChem CID:	51326072
Reduced:	SN2O3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-37.99
Dipole, Da:	3.3
IP(EA), eV:	-8.92(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-benzoylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCO2)NC(=O)NC(C3=CC=CC=C3)C4=CC=CS4

DOS

IR

Vibrations