Geometry & MOs

Info

ID:	291967
PubChem CID:	113995650
Reduced:	BrO2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	391.94457
ΔH_f, kcal/mol:	-137.56
Dipole, Da:	4.62
IP(EA), eV:	-9.78(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dibromo-4-cycloheptyloxybenzoic acid

Drug info:

PubChemData

Smile

C1CC(OC1)COC2=C(C=C(C=C2Br)C(=O)O)Br

DOS

IR

Vibrations