Geometry & MOs

Info

ID:	172530
PubChem CID:	75522262
Reduced:	FO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	329.128803
ΔH_f, kcal/mol:	-218.64
Dipole, Da:	5.31
IP(EA), eV:	-9.1(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)CO)OCC2=C(C=C(C=C2)F)F)CO

DOS

IR

Vibrations