Geometry & MOs

Info

ID:	187978
PubChem CID:	77649858
Reduced:	ClNO6C20H22 (1)
Stoich.:	ABC6D20E22 (1)
Weight, g/mol:	200.004035
ΔH_f, kcal/mol:	-194.03
Dipole, Da:	6.77
IP(EA), eV:	-8.89(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-3-fluorophenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(CCC1=C2C=CC(=O)N=C2C(=CC1=C)OC)(C(=O)OCC)Cl

DOS

IR

Vibrations