Geometry & MOs

Info

ID:	294281
PubChem CID:	117449900
Reduced:	OC3H4 (5)
Stoich.:	AB3C4 (5)
Weight, g/mol:	280.131074
ΔH_f, kcal/mol:	-201.7
Dipole, Da:	3.43
IP(EA), eV:	-8.8(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC(=C2CCCC2=C1OC)OC)O

DOS

IR

Vibrations