Geometry & MOs

Info

ID:	14447
PubChem CID:	411658
Reduced:	O9C22H24 (1)
Stoich.:	A9B22C24 (1)
Weight, g/mol:	432.142032
ΔH_f, kcal/mol:	-315.27
Dipole, Da:	5.47
IP(EA), eV:	-8.7(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2C(C(C(C3=CC4=C(C=C23)OCO4)O)CO)C(=O)O

DOS

IR

Vibrations