Geometry & MOs

Info

ID:

11579

PubChem CID:

117934

Reduced:

N3O5C42H67 (1)

Stoich.:

A3B5C42D67 (1)

Weight, g/mol:

693.508072

ΔHf, kcal/mol:

-215.06

Dipole, Da:

3.39

IP(EA), eV:

 -8.04(0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(1R)-1-[[(2R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-(dipentylamino)propan-2-ol

Drug info:

PubChemData

Smile

CCCCCN(CCCCC)CC(CN1CCC2=CC(=C(C=C2[C@H]1C[C@H]3C[C@H]4C5=CC(=C(C=C5CCN4CC3CC)OC)OC)OC)OC)O

DOS

IR

Vibrations