Geometry & MOs

Info

ID:	203843
PubChem CID:	79880797
Reduced:	FN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	207.069557
ΔH_f, kcal/mol:	-122.62
Dipole, Da:	3.76
IP(EA), eV:	-8.78(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-but-3-ynyl-5-fluoro-2-hydroxybenzamide

Drug info:

PubChemData

Smile

CN1CCCC(C1)CNC(=O)C2=C(C=CC(=C2)F)O

DOS

IR

Vibrations