Geometry & MOs

Info

ID:	193681
PubChem CID:	78422880
Reduced:	ClNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	298.180704
ΔH_f, kcal/mol:	-130.47
Dipole, Da:	9.65
IP(EA), eV:	-9.73(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2,4-dimethylphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Drug info:

PubChemData

Smile

C1CCC(CC1)[NH2+]C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)[O-]

DOS

IR

Vibrations