Geometry & MOs

Info

ID:	378424
PubChem CID:	134224505
Reduced:	OF6C13H18 (1)
Stoich.:	AB6C13D18 (1)
Weight, g/mol:	290.110534
ΔH_f, kcal/mol:	-393.17
Dipole, Da:	5.37
IP(EA), eV:	-11.13(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol

Drug info:

PubChemData

Smile

CC1CCC2C1CCC(C2)C(C(F)(F)F)(C(F)(F)F)O

DOS

IR

Vibrations