Geometry & MOs

Info

ID:	4357
PubChem CID:	11281
Reduced:	NO3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	-73.83
Dipole, Da:	2.61
IP(EA), eV:	-7.95(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aS)-2,11-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol

Drug info:

PubChemData

Smile

CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=CC=C4)OC)O)OC

DOS

IR

Vibrations