Geometry & MOs

Info

ID:	277635
PubChem CID:	103830023
Reduced:	FNO3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	264.102254
ΔH_f, kcal/mol:	-188.65
Dipole, Da:	4.08
IP(EA), eV:	-9.65(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide

Drug info:

PubChemData

Smile

CCCC(C)(CNC(=O)C1=C(C=C(C=C1)F)O)O

DOS

IR

Vibrations