Geometry & MOs

Info

ID:	198361
PubChem CID:	79091884
Reduced:	ClO2N3C11H18 (1)
Stoich.:	AB2C3D11E18 (1)
Weight, g/mol:	225.111341
ΔH_f, kcal/mol:	-106.86
Dipole, Da:	5.07
IP(EA), eV:	-9.49(0.41)
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)but-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)(CCl)C(=O)N1CCN2C(C1)CNC2=O

DOS

IR

Vibrations