Geometry & MOs

Info

ID:	49139
PubChem CID:	11528753
Reduced:	O4H12C13 (1)
Stoich.:	A4B12C13 (1)
Weight, g/mol:	232.1075
ΔH_f, kcal/mol:	-126.55
Dipole, Da:	4.12
IP(EA), eV:	-8.92(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-1,1,1-trifluoro-2-methyl-5-phenylpentan-3-ol

Drug info:

PubChemData

Smile

CCCC1=CC2=CC3=C(C=C2C(=O)O1)OCO3

DOS

IR

Vibrations