Geometry & MOs

Info

ID:	1894
PubChem CID:	5290
Reduced:	NO4C19H21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	327.147058
ΔH_f, kcal/mol:	-117.74
Dipole, Da:	5.4
IP(EA), eV:	-8.44(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol

Drug info:

PubChemData

Smile

COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C(=C(C=C4)O)OC)O

DOS

IR

Vibrations