Geometry & MOs

Info

ID:	84671
PubChem CID:	49869251
Reduced:	O3N5H15C16 (1)
Stoich.:	A3B5C15D16 (1)
Weight, g/mol:	618.348075
ΔH_f, kcal/mol:	99.4
Dipole, Da:	3.46
IP(EA), eV:	-8.88(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-[[2-[(2,5-dichlorophenyl)methyl]-6-methoxy-1-undecyl-3,4-dihydroisoquinolin-2-ium-5-yl]oxy]octan-1-ol

Drug info:

PubChemData

Smile

C=CCC(C1=NC2=CC=CC=C2O1)N3C=C(NN3)/C=C/C(=O)N=O

DOS

IR

Vibrations