Geometry & MOs

Info

ID:

214741

PubChem CID:

85083507

Reduced:

O4C17H26 (2)

Stoich.:

A4B17C26 (2)

Weight, g/mol:

588.413838

ΔHf, kcal/mol:

-428.34

Dipole, Da:

4.87

IP(EA), eV:

 -9.47(0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3a-(decoxymethyl)-2,2-dimethyl-5-(3-piperidin-1-ylpropyl)-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-yl] N-(4-methylphenyl)carbamate

Drug info:

PubChemData

Smile

CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C=CC4C3(CCC(C4)OC(=O)C)COC(=O)C(C)(C)C)OC(=O)C)C

DOS

IR

Vibrations