Geometry & MOs

Info

ID:	45594
PubChem CID:	10515342
Reduced:	PO4C12H19 (1)
Stoich.:	AB4C12D19 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-217.45
Dipole, Da:	4.83
IP(EA), eV:	-10.14(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R,8aR)-2-benzoyl-7-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

Drug info:

PubChemData

Smile

CCOP(=O)(/C=C/CC1=CC(=O)CC1)OCC

DOS

IR

Vibrations