Geometry & MOs

Info

ID:	376462
PubChem CID:	134222476
Reduced:	O2F6C13H20 (1)
Stoich.:	A2B6C13D20 (1)
Weight, g/mol:	250.15445
ΔH_f, kcal/mol:	-451.68
Dipole, Da:	5.21
IP(EA), eV:	-10.51(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-2-(1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC1CC(CC(C1)C(C(F)(F)F)(C(F)(F)F)O)C(C)(C)O

DOS

IR

Vibrations