Geometry & MOs

Info

ID:	84905
PubChem CID:	49870615
Reduced:	OF3N6H15C21 (1)
Stoich.:	AB3C6D15E21 (1)
Weight, g/mol:	644.35526
ΔH_f, kcal/mol:	-54.18
Dipole, Da:	10.95
IP(EA), eV:	-9.31(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hexyl-6,7-dimethoxy-2-[(3-methoxyphenyl)methyl]-1-undecyl-3,4-dihydroisoquinolin-2-ium-5-amine;bromide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=NC=CC(=C2)C3=CN=CC=C3)C4=NN=CN4CC(F)(F)F

DOS

IR

Vibrations