Geometry & MOs

Info

ID:	207312
PubChem CID:	80374654
Reduced:	F2O3H12C16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	292.097168
ΔH_f, kcal/mol:	-155.56
Dipole, Da:	4.49
IP(EA), eV:	-8.99(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]benzoic acid

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)C(=O)CC3=C(C=CC=C3F)F

DOS

IR

Vibrations