Geometry & MOs

Info

ID:

15482

PubChem CID:

442479

Reduced:

ON3C30H49 (1)

Stoich.:

AB3C30D49 (1)

Weight, g/mol:

467.387563

ΔHf, kcal/mol:

-100.59

Dipole, Da:

3.97

IP(EA), eV:

 -8.6(1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4aS,5R,7S,8aR)-5-[[(1S,5S,9S,11R,13S,17R)-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.02,7.013,17]heptadec-6-en-5-yl]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2CC3=N[C@@H](CCC3[C@@H]4C[C@H]2[C@H](C1)N(C4)C)C[C@H]5C[C@@H](C[C@@H]6[C@H]5CCCN6C(=O)C)C

DOS

IR

Vibrations