Geometry & MOs

Info

ID:	407379
PubChem CID:	135079958
Reduced:	SiO3C11H22 (1)
Stoich.:	AB3C11D22 (1)
Weight, g/mol:	258.052823
ΔH_f, kcal/mol:	-198.69
Dipole, Da:	1.97
IP(EA), eV:	-9.24(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-hydroxyphenyl)-1,3-benzodioxole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCC/C=C(\CC(=O)OC)/O[Si](C)(C)C

DOS

IR

Vibrations