Geometry & MOs

Info

ID:	29238
PubChem CID:	832485
Reduced:	ClO5H9C11 (1)
Stoich.:	AB5C9D11 (1)
Weight, g/mol:	256.013851
ΔH_f, kcal/mol:	-164.93
Dipole, Da:	6.69
IP(EA), eV:	-9.69(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(5-chlorofuran-2-yl)methylidene]-3-methylpent-2-enedioic acid

Drug info:

PubChemData

Smile

C/C(=C/C(=O)O)/C(=CC1=CC=C(O1)Cl)C(=O)O

DOS

IR

Vibrations