Geometry & MOs

Info

ID:	339225
PubChem CID:	127260604
Reduced:	S2O6C33H34 (1)
Stoich.:	A2B6C33D34 (1)
Weight, g/mol:	184.182715
ΔH_f, kcal/mol:	-183.47
Dipole, Da:	4.99
IP(EA), eV:	-9.54(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S)-4-tert-butyl-2,2-dimethylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=C(C=C1)C2=CC=CC=C2)S(=O)(=O)O)C3=CC(=C(C=C3)C4=CC=CC=C4)S(=O)(=O)OC5CCCCC5

DOS

IR

Vibrations