Geometry & MOs

Info

ID:	293070
PubChem CID:	117373276
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-128.85
Dipole, Da:	4.18
IP(EA), eV:	-8.94(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)OCO2)C(CC(=O)O)C3CC3

DOS

IR

Vibrations