Geometry & MOs

Info

ID:	165080
PubChem CID:	74496538
Reduced:	SO2N5C26H35 (1)
Stoich.:	AB2C5D26E35 (1)
Weight, g/mol:	430.236876
ΔH_f, kcal/mol:	-49.83
Dipole, Da:	5.89
IP(EA), eV:	-8.47(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[methyl(2-phenylethyl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=C12)NCCCN3CCCC3=O)C(=O)NCCC4=CCC5CC4C5(C)C

DOS

IR

Vibrations