Geometry & MOs

Info

ID:	9972
PubChem CID:	95660
Reduced:	O2H5C6 (2)
Stoich.:	A2B5C6 (2)
Weight, g/mol:	218.057909
ΔH_f, kcal/mol:	-122.71
Dipole, Da:	7.7
IP(EA), eV:	-9.76(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cinnamylidenepropanedioic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC=C(C(=O)O)C(=O)O

DOS

IR

Vibrations