Geometry & MOs

Info

ID:	242220
PubChem CID:	96079685
Reduced:	FON2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	259.075705
ΔH_f, kcal/mol:	-50.62
Dipole, Da:	2.44
IP(EA), eV:	-9.25(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C=CN=C1[C@H](C2=CC=CC=C2F)O

DOS

IR

Vibrations