Geometry & MOs

Info

ID:

3276

PubChem CID:

9425

Reduced:

Cl2N2O4C29H42 (1)

Stoich.:

A2B2C4D29E42 (1)

Weight, g/mol:

552.252163

ΔHf, kcal/mol:

-196.61

Dipole, Da:

5.42

IP(EA), eV:

 -8.23(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;dihydrochloride

Drug info:

PubChemData

Smile

CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.Cl.Cl

DOS

IR

Vibrations