Geometry & MOs

Info

ID:	198373
PubChem CID:	79092162
Reduced:	ON5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	280.109089
ΔH_f, kcal/mol:	-1.22
Dipole, Da:	3.33
IP(EA), eV:	-8.8(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN2C(CNC2=O)CN1C3=NC=CC(=C3)CN

DOS

IR

Vibrations