Geometry & MOs

Info

ID:	29236
PubChem CID:	832483
Reduced:	ClNO2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	256.013851
ΔH_f, kcal/mol:	-40.35
Dipole, Da:	3.17
IP(EA), eV:	-9.59(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)Cl)NC(=O)C2=CC=CO2

DOS

IR

Vibrations