Geometry & MOs

Info

ID:	204299
PubChem CID:	79944096
Reduced:	FIN2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	1.95
Dipole, Da:	3.31
IP(EA), eV:	-8.32(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)C3=C(C=C(C=C3)F)I

DOS

IR

Vibrations