Geometry & MOs

Info

ID:

219003

PubChem CID:

85090336

Reduced:

N3O3C26H27 (1)

Stoich.:

A3B3C26D27 (1)

Weight, g/mol:

536.40769

ΔHf, kcal/mol:

-61.45

Dipole, Da:

7.35

IP(EA), eV:

 -8.86(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[2-[2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-dioxan-4-yl]ethenyl]-3,3-dimethyl-6-propan-2-ylcyclohexyl]methyl 2,2-dimethylbutanoate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)C4=CC=C(C=C4)OC)CC5CCCCC5

DOS

IR

Vibrations