Geometry & MOs

Info

ID:	242185
PubChem CID:	96079558
Reduced:	FON2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	206.085541
ΔH_f, kcal/mol:	-26.8
Dipole, Da:	4.1
IP(EA), eV:	-9.77(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-(2-fluorophenyl)-(5-methyl-1H-pyrazol-4-yl)methanol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[C@H](C2=CNN=C2)O)F

DOS

IR

Vibrations