Geometry & MOs

Info

ID:	161533
PubChem CID:	57391920
Reduced:	N2O2F3H17C24 (1)
Stoich.:	A2B2C3D17E24 (1)
Weight, g/mol:	240.081124
ΔH_f, kcal/mol:	-159.68
Dipole, Da:	9.97
IP(EA), eV:	-8.76(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-fluorophenyl)triazol-4-yl]pyridine

Drug info:

PubChemData

Smile

CN1C=C(C(=O)C2=CC=CC=C21)C(=O)NC3=CC(=C(C=C3)C4=CC=CC=C4)C(F)(F)F

DOS

IR

Vibrations