Geometry & MOs

Info

ID:	220411
PubChem CID:	85182448
Reduced:	SiO6C26H42 (1)
Stoich.:	AB6C26D42 (1)
Weight, g/mol:	477.07063
ΔH_f, kcal/mol:	-308.15
Dipole, Da:	3.39
IP(EA), eV:	-8.67(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-bromophenyl)-3-methyl-1,2,3,4,4a,5,6,7,7a,13-decahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7,9-diol;chloride

Drug info:

PubChemData

Smile

CCOC(=O)C(=CCC1=CC(=C(C(=C1OCOCC[Si](C)(C)C)C)C)OC2CCCCO2)C

DOS

IR

Vibrations