Geometry & MOs

Info

ID:	1809
PubChem CID:	5099
Reduced:	O4H8C9 (2)
Stoich.:	A4B8C9 (2)
Weight, g/mol:	360.084517
ΔH_f, kcal/mol:	-282.71
Dipole, Da:	4.23
IP(EA), eV:	-8.99(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O

DOS

IR

Vibrations