Geometry & MOs

Info

ID:	86515
PubChem CID:	49886514
Reduced:	O5C13H14 (1)
Stoich.:	A5B13C14 (1)
Weight, g/mol:	256.013851
ΔH_f, kcal/mol:	-184.32
Dipole, Da:	6.45
IP(EA), eV:	-9.46(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(3-chloro-4-methoxyphenyl)-4-hydroxy-2-oxobut-3-enoic acid

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)/C(=C/C(=O)C(=O)O)/O)C

DOS

IR

Vibrations