Geometry & MOs

Info

ID:	167080
PubChem CID:	74777918
Reduced:	N5O5C19H31 (1)
Stoich.:	A5B5C19D31 (1)
Weight, g/mol:	440.218546
ΔH_f, kcal/mol:	-227.16
Dipole, Da:	9.02
IP(EA), eV:	-9.33(0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 6-[3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidine-1-carbonyl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C2CCCN(C2)C(=O)C3CC(=O)N(C(=O)N3C)C

DOS

IR

Vibrations