Geometry & MOs

Info

ID:

381568

PubChem CID:

134972347

Reduced:

NO2C6H10 (2)

Stoich.:

AB2C6D10 (2)

Weight, g/mol:

561.348565

ΔHf, kcal/mol:

-170.67

Dipole, Da:

2.61

IP(EA), eV:

 -9.39(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aR,5aS,6S,9aS,9bS)-5-[5-[tert-butyl(dimethyl)silyl]oxypent-2-ynoyl]-2,2,4,5a,9,9-hexamethyl-3a,6,7,8,9a,9b-hexahydrobenzo[g][1,3]benzodioxol-6-yl] N,N-dimethylcarbamate

Drug info:

PubChemData

Smile

CCOC(=O)NN(C1=CCCCC1)C(=O)OCC

DOS

IR

Vibrations