Geometry & MOs

Info

ID:	158644
PubChem CID:	56464382
Reduced:	OSN3C22H31 (1)
Stoich.:	ABC3D22E31 (1)
Weight, g/mol:	403.247107
ΔH_f, kcal/mol:	-27.09
Dipole, Da:	3.71
IP(EA), eV:	-8.8(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]propyl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)NCC2CCCN(C2)CC3=CC=CC=C3

DOS

IR

Vibrations