Geometry & MOs

Info

ID:	198375
PubChem CID:	79092164
Reduced:	ClO2N4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	278.117904
ΔH_f, kcal/mol:	-66.29
Dipole, Da:	3.78
IP(EA), eV:	-8.86(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-amino-2-fluorobenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

Drug info:

PubChemData

Smile

C1CN2C(CNC2=O)CN1C(=O)C3=C(C=CC(=C3)Cl)N

DOS

IR

Vibrations