Geometry & MOs

Info

ID:	198353
PubChem CID:	79091448
Reduced:	ClON2H15C17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	227.126991
ΔH_f, kcal/mol:	42.54
Dipole, Da:	2.85
IP(EA), eV:	-9.0(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)butanoic acid

Drug info:

PubChemData

Smile

C1=CN(C=C1)NC(C2=CC=C(C=C2)O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations