Geometry & MOs

Info

ID:	221939
PubChem CID:	85292914
Reduced:	NOC13H17 (2)
Stoich.:	ABC13D17 (2)
Weight, g/mol:	406.257078
ΔH_f, kcal/mol:	-36.35
Dipole, Da:	6.88
IP(EA), eV:	-8.34(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)cyclohexane-1,2-diol

Drug info:

PubChemData

Smile

CCCCCCCCCOC1=CC(=C(C=C1)OC)CC(=CNC2=CC=CC=C2)C#N

DOS

IR

Vibrations