Geometry & MOs

Info

ID:	83832
PubChem CID:	49861653
Reduced:	NOC6H10 (4)
Stoich.:	ABC6D10 (4)
Weight, g/mol:	511.328918
ΔH_f, kcal/mol:	-211.14
Dipole, Da:	3.96
IP(EA), eV:	-8.25(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]cyclohexyl]-2-methylpropanamide;hydrochloride

Drug info:

PubChemData

Smile

CCCOC(=O)C1CCCCC1N2CCN(CC2)CCCN3C(=O)C4CCCCN4C3=O

DOS

IR

Vibrations