Geometry & MOs

Info

ID:	368611
PubChem CID:	127329644
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	398.235162
ΔH_f, kcal/mol:	-99.66
Dipole, Da:	1.62
IP(EA), eV:	-8.46(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1CCC(=O)NC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations