Geometry & MOs

Info

ID:	53450
PubChem CID:	14716068
Reduced:	BrOC16H19 (1)
Stoich.:	ABC16D19 (1)
Weight, g/mol:	296.1388
ΔH_f, kcal/mol:	-50.88
Dipole, Da:	3.43
IP(EA), eV:	-9.48(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(trifluoromethyl)phenyl]adamantan-1-ol

Drug info:

PubChemData

Smile

C1C2CC3CC(C2)(CC1C3C4=CC(=CC=C4)Br)O

DOS

IR

Vibrations