Geometry & MOs

Info

ID:	1215
PubChem CID:	3999
Reduced:	NO4C20H24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	342.170533
ΔH_f, kcal/mol:	-91.61
Dipole, Da:	7.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.523447
Charge, e:	1

Chem-info

IUPAC name:

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=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C

DOS

IR

Vibrations