Geometry & MOs

Info

ID:	242206
PubChem CID:	96079582
Reduced:	FO2H13C14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	234.116841
ΔH_f, kcal/mol:	-100.79
Dipole, Da:	2.8
IP(EA), eV:	-8.65(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-(2-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)[C@H](C2=CC=CC=C2F)O

DOS

IR

Vibrations