Geometry & MOs

Info

ID:	277154
PubChem CID:	103827063
Reduced:	BrClON2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	356.98797
ΔH_f, kcal/mol:	3.6
Dipole, Da:	4.02
IP(EA), eV:	-8.9(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN(C=C1)CCNC(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations