Geometry & MOs

Info

ID:	295451
PubChem CID:	117529425
Reduced:	FON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-60.64
Dipole, Da:	5.29
IP(EA), eV:	-8.95(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(3-methylphenyl)-3,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-4-one

Drug info:

PubChemData

Smile

CN1CCN2C(C1)CNC(C2=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations