Geometry & MOs

Info

ID:	287011
PubChem CID:	104231690
Reduced:	N2O2F3C13H13 (1)
Stoich.:	A2B2C3D13E13 (1)
Weight, g/mol:	286.092912
ΔH_f, kcal/mol:	-182.67
Dipole, Da:	7.0
IP(EA), eV:	-9.52(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-methoxy-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC=C1OC)N2C=CC(=N2)C(F)(F)F)O

DOS

IR

Vibrations