Geometry & MOs

Info

ID:	407755
PubChem CID:	135080510
Reduced:	F2O2H12C13 (1)
Stoich.:	A2B2C12D13 (1)
Weight, g/mol:	206.051384
ΔH_f, kcal/mol:	-159.71
Dipole, Da:	3.01
IP(EA), eV:	-9.74(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylsulfanyl-1H-pyrazol-5-yl)phenol

Drug info:

PubChemData

Smile

C1C(CC(=O)C=C1OC(F)F)C2=CC=CC=C2

DOS

IR

Vibrations