Geometry & MOs

Info

ID:	442700
PubChem CID:	135255832
Reduced:	O4F6C15H26 (1)
Stoich.:	A4B6C15D26 (1)
Weight, g/mol:	294.292266
ΔH_f, kcal/mol:	-546.16
Dipole, Da:	2.43
IP(EA), eV:	-10.42(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-ditert-butyl-4-cyclohexylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CCCC(CO)(COCCCC(CC(F)(F)F)(CO)CO)C(F)(F)F

DOS

IR

Vibrations