Geometry & MOs

Info

ID:	198398
PubChem CID:	79095911
Reduced:	O2N5C14H19 (1)
Stoich.:	A2B5C14D19 (1)
Weight, g/mol:	393.9502
ΔH_f, kcal/mol:	-55.65
Dipole, Da:	8.04
IP(EA), eV:	-8.65(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=C(C=C1)N)N2CCN3C(C2)CNC3=O

DOS

IR

Vibrations