Geometry & MOs

Info

ID:

382888

PubChem CID:

134974299

Reduced:

O8C14H19 (2)

Stoich.:

A8B14C19 (2)

Weight, g/mol:

464.303893

ΔHf, kcal/mol:

-684.05

Dipole, Da:

3.26

IP(EA), eV:

 -10.2(0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

4-[2-ethoxy-5-ethyl-4-methoxy-3-[[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]hexan-1-ol

Drug info:

PubChemData

Smile

C[C@H]1C(O[C@H](C(C1OC(=O)C)OC(=O)C)O[C@@H]2C(O[C@H](C(C2OC(=O)C)OC(=O)C)OCC#C)COC(=O)C)COC(=O)C

DOS

IR

Vibrations