Geometry & MOs

Info

ID:	358163
PubChem CID:	127295708
Reduced:	O2N3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	372.219512
ΔH_f, kcal/mol:	-45.52
Dipole, Da:	5.52
IP(EA), eV:	-9.38(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-ethylsulfonylpiperidin-4-yl)-3-piperidin-1-ylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)NCC#CC3=CC=CC=C3

DOS

IR

Vibrations