Geometry & MOs

Info

ID:	198377
PubChem CID:	79092166
Reduced:	ON3C5H7 (2)
Stoich.:	AB3C5D7 (2)
Weight, g/mol:	241.142641
ΔH_f, kcal/mol:	-30.56
Dipole, Da:	0.95
IP(EA), eV:	-9.07(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)propanoate

Drug info:

PubChemData

Smile

C1CN2C(CNC2=O)CN1C(=O)C3=CC(=NN3)N

DOS

IR

Vibrations