Geometry & MOs

Info

ID:	242221
PubChem CID:	96079686
Reduced:	FO2N3H10C13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	259.075705
ΔH_f, kcal/mol:	-55.56
Dipole, Da:	6.97
IP(EA), eV:	-8.99(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(R)-(2-fluorophenyl)-hydroxymethyl]-7H-imidazo[1,5-a]pyrazin-8-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[C@@H](C2=NC=C3N2C=CNC3=O)O)F

DOS

IR

Vibrations