Geometry & MOs

Info

ID:	179092
PubChem CID:	76432469
Reduced:	SO2N5C21H31 (1)
Stoich.:	AB2C5D21E31 (1)
Weight, g/mol:	437.279075
ΔH_f, kcal/mol:	-22.25
Dipole, Da:	3.59
IP(EA), eV:	-9.01(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(pyridin-4-ylmethyl)-5-(pyridin-3-yloxymethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NN=C2N1CCN(CC2)CC(=CC3=CC=CC=C3)C)NS(=O)(=O)C

DOS

IR

Vibrations