Geometry & MOs

Info

ID:	378422
PubChem CID:	134224503
Reduced:	OC24H40 (1)
Stoich.:	AB24C40 (1)
Weight, g/mol:	318.141834
ΔH_f, kcal/mol:	-100.27
Dipole, Da:	1.97
IP(EA), eV:	-9.71(2.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC1(CCCCC1)C2CC3(CCC2O3)CC4(CCCC4)C5CCCC5

DOS

IR

Vibrations