Geometry & MOs

Info

ID:	83833
PubChem CID:	49861660
Reduced:	ClO3N5C26H46 (1)
Stoich.:	AB3C5D26E46 (1)
Weight, g/mol:	475.35224
ΔH_f, kcal/mol:	-210.63
Dipole, Da:	6.15
IP(EA), eV:	-8.34(0.46)
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

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1CCCC(C1)N2CCN(CC2)CCCCN3CC(=O)N4CCCCC4C3=O.Cl

DOS

IR

Vibrations