Geometry & MOs

Info

ID:	172597
PubChem CID:	75528932
Reduced:	O2C5H6 (2)
Stoich.:	A2B5C6 (2)
Weight, g/mol:	382.089997
ΔH_f, kcal/mol:	-163.44
Dipole, Da:	4.47
IP(EA), eV:	-9.63(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2-dihydroxyethyl)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=O)O1)CCCC(=O)O

DOS

IR

Vibrations