Geometry & MOs

Info

ID:	277590
PubChem CID:	103829727
Reduced:	FNO3C10H12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	263.107005
ΔH_f, kcal/mol:	-171.49
Dipole, Da:	4.85
IP(EA), eV:	-9.61(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-hydroxy-N-(3-pyrazol-1-ylpropyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)O)C(=O)NCCCO

DOS

IR

Vibrations