Geometry & MOs

Info

ID:	84829
PubChem CID:	49870212
Reduced:	O2N6C19H20 (1)
Stoich.:	A2B6C19D20 (1)
Weight, g/mol:	691.34614
ΔH_f, kcal/mol:	28.03
Dipole, Da:	10.4
IP(EA), eV:	-9.02(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=NN=C1C2=CC(=CC=C2)NC(=O)C3=NC=CC(=C3)N4CCOCC4

DOS

IR

Vibrations