Geometry & MOs

Info

ID:	42270
PubChem CID:	8149378
Reduced:	SN3O5C20H27 (1)
Stoich.:	AB3C5D20E27 (1)
Weight, g/mol:	325.155218
ΔH_f, kcal/mol:	-215.3
Dipole, Da:	5.76
IP(EA), eV:	-8.91(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)[C@H](C)C2=NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)N2

DOS

IR

Vibrations