Geometry & MOs

Info

ID:	166055
PubChem CID:	74630932
Reduced:	O2N3C23H33 (1)
Stoich.:	A2B3C23D33 (1)
Weight, g/mol:	452.254932
ΔH_f, kcal/mol:	-102.17
Dipole, Da:	1.98
IP(EA), eV:	-8.67(0.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2,4-dimethoxyphenyl)-N-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1CC2CCCCC2C(=O)N1)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations