Geometry & MOs

Info

ID:

51542

PubChem CID:

12014226

Reduced:

OC8H14 (3)

Stoich.:

AB8C14 (3)

Weight, g/mol:

2006.556257

ΔHf, kcal/mol:

-213.41

Dipole, Da:

4.56

IP(EA), eV:

 -9.98(2.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-[(2,2-dibutyl-5-methyl-1,3-dioxan-5-yl)methoxy]-2-[(2,2-dibutyl-5-methyl-1,3-dioxan-5-yl)methoxymethyl]propoxy]methyl]-3-[3-[2-[[3-[(2,2-dibutyl-5-methyl-1,3-dioxan-5-yl)methoxy]-2-[(2,2-dibutyl-5-methyl-1,3-dioxan-5-yl)methoxymethyl]propoxy]methyl]-3-hydroxypropoxy]-2-[[2-[[3-[(2,2-dibutyl-5-methyl-1,3-dioxan-5-yl)methoxy]-2-[(2,2-dibutyl-5-methyl-1,3-dioxan-5-yl)methoxymethyl]propoxy]methyl]-3-hydroxypropoxy]methyl]-2-methylpropoxy]propan-1-ol

Drug info:

PubChemData

Smile

C[C@H](CCCO)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

DOS

IR

Vibrations