Geometry & MOs

Info

ID:	84906
PubChem CID:	49870622
Reduced:	BrN2O3C36H57 (1)
Stoich.:	AB2C3D36E57 (1)
Weight, g/mol:	729.25763
ΔH_f, kcal/mol:	-154.3
Dipole, Da:	1.3
IP(EA), eV:	-8.24(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,6-dichlorophenyl)methyl]-6-methoxy-5-octoxy-1-undecyl-3,4-dihydroisoquinolin-2-ium;iodide

Drug info:

PubChemData

Smile

CCCCCCCCCCCC1=[N+](CCC2=C(C(=C(C=C21)OC)OC)NCCCCCC)CC3=CC(=CC=C3)OC.[Br-]

DOS

IR

Vibrations