Geometry & MOs

Info

ID:	295076
PubChem CID:	117515404
Reduced:	BrO4C15H17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	340.03102
ΔH_f, kcal/mol:	-136.23
Dipole, Da:	7.37
IP(EA), eV:	-9.17(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-cyclopropylpropanoic acid

Drug info:

PubChemData

Smile

CCC1=C2C(=C(C=C1C3(CC3)CC(=O)O)Br)OCCO2

DOS

IR

Vibrations