Geometry & MOs

Info

ID:	362667
PubChem CID:	127309056
Reduced:	OSN4C19H28 (1)
Stoich.:	ABC4D19E28 (1)
Weight, g/mol:	359.184506
ΔH_f, kcal/mol:	-8.17
Dipole, Da:	0.78
IP(EA), eV:	-9.06(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-4-ylmethyl)-3-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)NC(CC(C)C)C3=CC=CS3

DOS

IR

Vibrations