Geometry & MOs

Info

ID:	368612
PubChem CID:	127329650
Reduced:	SO3N4C19H34 (1)
Stoich.:	AB3C4D19E34 (1)
Weight, g/mol:	398.268176
ΔH_f, kcal/mol:	-139.16
Dipole, Da:	7.48
IP(EA), eV:	-8.71(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)acetyl]piperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1CC(=O)N3CCN(CC3)C4CCS(=O)(=O)C4

DOS

IR

Vibrations