Geometry & MOs

Info

ID:	83834
PubChem CID:	49861661
Reduced:	O3N5C26H45 (1)
Stoich.:	A3B5C26D45 (1)
Weight, g/mol:	415.294725
ΔH_f, kcal/mol:	-174.79
Dipole, Da:	3.23
IP(EA), eV:	-8.64(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations