Geometry & MOs

Info

ID:

384180

PubChem CID:

134976487

Reduced:

NO2C30H39 (1)

Stoich.:

AB2C30D39 (1)

Weight, g/mol:

571.387288

ΔHf, kcal/mol:

-31.99

Dipole, Da:

3.22

IP(EA), eV:

 -8.42(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-O-tert-butyl 2-O-[(1R,2R,5R)-5-methyl-2-propylcyclohexyl] (1S,2S,3E,4R)-3-[2-[(1R,2R,5R)-5-methyl-2-propylcyclohexyl]oxy-2-oxoethylidene]-7-azabicyclo[2.2.1]hept-5-ene-2,7-dicarboxylate

Drug info:

PubChemData

Smile

CCCCCCC1=NC(C(C1=C=C(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)(C)C)(C)C

DOS

IR

Vibrations