Geometry & MOs

Info

ID:	29171
PubChem CID:	832142
Reduced:	ClFNO2H9C16 (1)
Stoich.:	ABCD2E9F16 (1)
Weight, g/mol:	254.105528
ΔH_f, kcal/mol:	-38.61
Dipole, Da:	4.13
IP(EA), eV:	-9.78(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-hydroxyanilino)-1-pyridin-3-ylbut-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC(=CC3=CC(=CC=C3)F)C(=O)O2)Cl

DOS

IR

Vibrations