Geometry & MOs

Info

ID:	216066
PubChem CID:	85085662
Reduced:	O5H10C11 (1)
Stoich.:	A5B10C11 (1)
Weight, g/mol:	222.089209
ΔH_f, kcal/mol:	-163.35
Dipole, Da:	3.31
IP(EA), eV:	-9.37(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propan-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C(=O)C=C(C1=CC(=CC=C1)O)O

DOS

IR

Vibrations