Geometry & MOs

Info

ID:	198359
PubChem CID:	79091882
Reduced:	SO2N3C11H13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	245.093105
ΔH_f, kcal/mol:	-37.63
Dipole, Da:	4.3
IP(EA), eV:	-8.89(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN2C(CNC2=O)CN1C3=CC=C(S3)C=O

DOS

IR

Vibrations