Geometry & MOs

Info

ID:	263753
PubChem CID:	103395382
Reduced:	FO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	223.075705
ΔH_f, kcal/mol:	-168.3
Dipole, Da:	3.54
IP(EA), eV:	-9.12(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluoro-4-methoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanol

Drug info:

PubChemData

Smile

CCOC(C)C(C1=C(C=C(C=C1)OC)F)O

DOS

IR

Vibrations