Geometry & MOs

Info

ID:	12140
PubChem CID:	131279
Reduced:	OF2N3H13C16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	301.102668
ΔH_f, kcal/mol:	-36.32
Dipole, Da:	4.71
IP(EA), eV:	-9.89(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-bis(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(CN2C=NC=N2)(C3=CC=C(C=C3)F)O)F

DOS

IR

Vibrations