Geometry & MOs

Info

ID:	198374
PubChem CID:	79092163
Reduced:	ClON4C13H17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	294.088353
ΔH_f, kcal/mol:	-22.01
Dipole, Da:	3.47
IP(EA), eV:	-8.52(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN2C(CNC2=O)CN1C3=CC(=C(C=C3)CN)Cl

DOS

IR

Vibrations