Geometry & MOs

Info

ID:	214513
PubChem CID:	85083141
Reduced:	IO11C18H25 (1)
Stoich.:	AB11C18D25 (1)
Weight, g/mol:	543.12565
ΔH_f, kcal/mol:	-447.77
Dipole, Da:	6.92
IP(EA), eV:	-9.54(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-8-[(3-hydroxy-4-methoxyphenyl)methyl]-3,10-dimethoxy-6,8,8a,12a,13,13a-hexahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OCC2C(O2)CI)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations