Geometry & MOs

Info

ID:	12141
PubChem CID:	131280
Reduced:	FOCl2N3H12C16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	351.034146
ΔH_f, kcal/mol:	-5.3
Dipole, Da:	3.24
IP(EA), eV:	-9.84(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations