Geometry & MOs

Info

ID:	373814
PubChem CID:	131320306
Reduced:	NOC9H13 (1)
Stoich.:	ABC9D13 (1)
Weight, g/mol:	227.99895
ΔH_f, kcal/mol:	-31.62
Dipole, Da:	4.9
IP(EA), eV:	-8.49(1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(4-chloro-3-fluorophenyl)-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

C1CC2=CC(=CN2C1)CCO

DOS

IR

Vibrations