Geometry & MOs

Info

ID:	198366
PubChem CID:	79092032
Reduced:	OSN4C13H24 (1)
Stoich.:	ABC4D13E24 (1)
Weight, g/mol:	293.093104
ΔH_f, kcal/mol:	-49.93
Dipole, Da:	3.99
IP(EA), eV:	-8.61(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CCCN1CCN2C(C1)CNC2=O)C(=S)N

DOS

IR

Vibrations