Geometry & MOs

Info

ID:	28133
PubChem CID:	825783
Reduced:	BrO2C10H17 (1)
Stoich.:	AB2C10D17 (1)
Weight, g/mol:	248.04119
ΔH_f, kcal/mol:	-124.67
Dipole, Da:	3.35
IP(EA), eV:	-10.6(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S)-4-bromo-1,2,2-trimethylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@]1(CC[C@@H](CC1(C)C)Br)C(=O)O

DOS

IR

Vibrations