Geometry & MOs

Info

ID:	277588
PubChem CID:	103829724
Reduced:	FNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	222.055304
ΔH_f, kcal/mol:	-132.78
Dipole, Da:	5.14
IP(EA), eV:	-9.39(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)CN(C)C(=O)C1=C(C=C(C=C1)F)O

DOS

IR

Vibrations