Geometry & MOs

Info

ID:	84635
PubChem CID:	49868986
Reduced:	NO4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	731.2369
ΔH_f, kcal/mol:	-79.17
Dipole, Da:	3.86
IP(EA), eV:	-8.71(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[2-[(2,4-dichlorophenyl)methyl]-6-methoxy-1-undecyl-3,4-dihydroisoquinolin-2-ium-5-yl]oxy]heptan-1-ol;iodide

Drug info:

PubChemData

Smile

CC(C)CC(=O)OC1=C2C3=C(CC4C5C3(CCN4C)[C@@H](O2)C(=O)CC5)C=C1

DOS

IR

Vibrations