Geometry & MOs

Info

ID:	198364
PubChem CID:	79091967
Reduced:	FO2N3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-109.51
Dipole, Da:	1.77
IP(EA), eV:	-8.62(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-phenacyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)N2CCN3C(C2)CNC3=O)F)O

DOS

IR

Vibrations