Geometry & MOs

Info

ID:	84754
PubChem CID:	49869664
Reduced:	ON7H21C27 (1)
Stoich.:	AB7C21D27 (1)
Weight, g/mol:	512.329533
ΔH_f, kcal/mol:	157.76
Dipole, Da:	4.52
IP(EA), eV:	-9.18(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=NC=C(C=C2)C3=CC(=NC=C3)C(=O)NC4=CC=CC(=C4)C5=NN=CN5C6=CC=NC=C6

DOS

IR

Vibrations