Geometry & MOs

Info

ID:	22247
PubChem CID:	596389
Reduced:	NO5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	357.157623
ΔH_f, kcal/mol:	-159.44
Dipole, Da:	7.0
IP(EA), eV:	-8.43(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C2=C(CC3C4=CC(=C(C=C4C(CN3C2)O)O)OC)C=C1)OC

DOS

IR

Vibrations