Geometry & MOs

Info

ID:	58311
PubChem CID:	24697689
Reduced:	NC3H3 (3)
Stoich.:	AB3C3 (3)
Weight, g/mol:	207.033171
ΔH_f, kcal/mol:	77.86
Dipole, Da:	6.62
IP(EA), eV:	-8.99(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-(prop-2-ynoylamino)benzoic acid

Drug info:

PubChemData

Smile

C=CCNC1=NC=C(C=C1)C#N

DOS

IR

Vibrations