Geometry & MOs

Info

ID:	287010
PubChem CID:	104231689
Reduced:	N2O2F3C13H13 (1)
Stoich.:	A2B2C3D13E13 (1)
Weight, g/mol:	286.092912
ΔH_f, kcal/mol:	-182.21
Dipole, Da:	7.93
IP(EA), eV:	-9.54(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=C(C=CC=C1OC)N2C=CC(=N2)C(F)(F)F)O

DOS

IR

Vibrations