Geometry & MOs

Info

ID:	28134
PubChem CID:	825784
Reduced:	BrO2C10H17 (1)
Stoich.:	AB2C10D17 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-124.7
Dipole, Da:	6.01
IP(EA), eV:	-10.39(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-dimethylpropyl)-2,4,6-trimethylbenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations