Geometry & MOs

Info

ID:	377901
PubChem CID:	134223967
Reduced:	IH8C9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	212.17763
ΔH_f, kcal/mol:	149.19
Dipole, Da:	1.8
IP(EA), eV:	-9.25(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-5,5-dimethylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2(C1C(C2)C3=CC=C(C=C3)I)C4=CC=C(C=C4)I

DOS

IR

Vibrations