Geometry & MOs

Info

ID:

3796

PubChem CID:

10218

Reduced:

NO2C14H19 (2)

Stoich.:

AB2C14D19 (2)

Weight, g/mol:

466.283158

ΔHf, kcal/mol:

-142.3

Dipole, Da:

4.8

IP(EA), eV:

 -8.4(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2CC1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC

DOS

IR

Vibrations