Geometry & MOs

Info

ID:	84779
PubChem CID:	49869816
Reduced:	O3N5H23C27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	641.25413
ΔH_f, kcal/mol:	122.85
Dipole, Da:	4.27
IP(EA), eV:	-8.48(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=C(C=C2)CC(C3=CC4=CC=CC=C4N3)N5C=C(NN5)/C=C/C(=O)N=O

DOS

IR

Vibrations