Geometry & MOs

Info

ID:	433067
PubChem CID:	135173204
Reduced:	F2N2O2C11H12 (1)
Stoich.:	A2B2C2D11E12 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-145.12
Dipole, Da:	3.37
IP(EA), eV:	-9.33(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[(8aR)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl]acetate

Drug info:

PubChemData

Smile

C1[C@@H](N=C(CO1)N)C2=CC=CC=C2OC(F)F

DOS

IR

Vibrations