Geometry & MOs

Info

ID:	1769
PubChem CID:	5020
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	283.120843
ΔH_f, kcal/mol:	-89.98
Dipole, Da:	2.24
IP(EA), eV:	-8.64(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10,11-triol

Drug info:

PubChemData

Smile

CN1CCC2=C3C1CC4=C(C3=CC(=C2)O)C(=C(C=C4)O)O

DOS

IR

Vibrations