Geometry & MOs

Info

ID:	13466
PubChem CID:	234414
Reduced:	O6C13H14 (1)
Stoich.:	A6B13C14 (1)
Weight, g/mol:	266.079038
ΔH_f, kcal/mol:	-229.43
Dipole, Da:	4.73
IP(EA), eV:	-9.13(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(C(C(C2=CC3=C(C=C21)OCO3)O)CO)C(=O)O

DOS

IR

Vibrations