Geometry & MOs

Info

ID:	31519
PubChem CID:	855817
Reduced:	O2N4C11H14 (1)
Stoich.:	A2B4C11D14 (1)
Weight, g/mol:	322.068846
ΔH_f, kcal/mol:	15.17
Dipole, Da:	2.26
IP(EA), eV:	-8.36(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]pyridine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2=NNN=N2)OCC

DOS

IR

Vibrations