Geometry & MOs

Info

ID:	441868
PubChem CID:	135246174
Reduced:	FO2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	414.129217
ΔH_f, kcal/mol:	-62.48
Dipole, Da:	5.36
IP(EA), eV:	-8.49(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-5-phenyltriazol-4-yl]-4-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

C1C(=CC=CN1)/C(=C(\C(=O)O)/N)/NC2=CC=CC=C2F

DOS

IR

Vibrations