Geometry & MOs

Info

ID:

15017

PubChem CID:

427204

Reduced:

NO4C20H23 (2)

Stoich.:

AB4C20D23 (2)

Weight, g/mol:

682.325416

ΔHf, kcal/mol:

-106.31

Dipole, Da:

2.62

IP(EA), eV:

 -8.01(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[2-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol

Drug info:

PubChemData

Smile

CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)O)OC

DOS

IR

Vibrations