Geometry & MOs

Info

ID:	201147
PubChem CID:	79495752
Reduced:	SO3C11H18 (1)
Stoich.:	AB3C11D18 (1)
Weight, g/mol:	280.203845
ΔH_f, kcal/mol:	-127.83
Dipole, Da:	3.15
IP(EA), eV:	-8.78(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-tert-butylphenyl)-1,1-diethoxypropan-2-ol

Drug info:

PubChemData

Smile

CCOC(C(C1=CC=C(S1)C)O)OCC

DOS

IR

Vibrations