Geometry & MOs

Info

ID:

14713

PubChem CID:

418714

Reduced:

N2O8C41H46 (1)

Stoich.:

A2B8C41D46 (1)

Weight, g/mol:

694.325416

ΔHf, kcal/mol:

-202.83

Dipole, Da:

4.75

IP(EA), eV:

 -7.46(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-4,15,16-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene

Drug info:

PubChemData

Smile

CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3OC4=CC5=CC6=C7C(=CC(=C(C7=C5C=C4OC)OC)OC)CCN6C)OC)OC)OC)OC

DOS

IR

Vibrations