Geometry & MOs

Info

ID:

7544

PubChem CID:

73337

Reduced:

NO4C20H24 (1)

Stoich.:

AB4C20D24 (1)

Weight, g/mol:

342.170533

ΔHf, kcal/mol:

-94.18

Dipole, Da:

6.41

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.396207

Charge, e:

 1

Chem-info

IUPAC name:

(6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,11-diol

Drug info:

PubChemData

Smile

C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C

DOS

IR

Vibrations