Geometry & MOs

Info

ID:	28132
PubChem CID:	825777
Reduced:	Cl2H16C17 (1)
Stoich.:	A2B16C17 (1)
Weight, g/mol:	248.04119
ΔH_f, kcal/mol:	35.07
Dipole, Da:	2.15
IP(EA), eV:	-9.53(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1([C@@](C1(Cl)Cl)(C)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations