Geometry & MOs

Info

ID:

11689

PubChem CID:

119215

Reduced:

N2O4C29H38 (1)

Stoich.:

A2B4C29D38 (1)

Weight, g/mol:

478.283158

ΔHf, kcal/mol:

-115.29

Dipole, Da:

6.83

IP(EA), eV:

 -7.6(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2-dihydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine

Drug info:

PubChemData

Smile

CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5C=CN4)OC)OC)OC)OC

DOS

IR

Vibrations