Geometry & MOs

Info

ID:	89636
PubChem CID:	49963220
Reduced:	NOF3H10C15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	284.071641
ΔH_f, kcal/mol:	-125.48
Dipole, Da:	3.83
IP(EA), eV:	-10.19(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chlorophenyl)-(2-pyrazol-1-ylphenyl)methanol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(C2=CC=C(C=C2)C#N)O)C(F)(F)F

DOS

IR

Vibrations