Geometry & MOs

Info

ID:	277644
PubChem CID:	103830073
Reduced:	FNO2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	250.086604
ΔH_f, kcal/mol:	-76.89
Dipole, Da:	4.15
IP(EA), eV:	-9.55(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC#C)NC(=O)C1=C(C=C(C=C1)F)O

DOS

IR

Vibrations