Geometry & MOs

Info

ID:	11836
PubChem CID:	121723
Reduced:	BrO2C7H13 (1)
Stoich.:	AB2C7D13 (1)
Weight, g/mol:	208.00989
ΔH_f, kcal/mol:	-114.42
Dipole, Da:	5.69
IP(EA), eV:	-10.56(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromoheptanoic acid

Drug info:

PubChemData

Smile

C(CCCBr)CCC(=O)O

DOS

IR

Vibrations