Geometry & MOs

Info

ID:	170930
PubChem CID:	75303626
Reduced:	SiO5C32H50 (1)
Stoich.:	AB5C32D50 (1)
Weight, g/mol:	494.218365
ΔH_f, kcal/mol:	-258.64
Dipole, Da:	1.89
IP(EA), eV:	-8.83(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-chloro-3-[(6-octoxypyridazin-3-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCOC(=O)C#CC1(C2CC2C3C1(CCC4C3C5CC5C6(C4(CCC(C6)O[Si](C)(C)C(C)(C)C)C)O)C)O

DOS

IR

Vibrations