Geometry & MOs

Info

ID:	295452
PubChem CID:	117529504
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-19.32
Dipole, Da:	3.15
IP(EA), eV:	-9.01(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2C(=O)N3CCNCC3CN2C

DOS

IR

Vibrations