Geometry & MOs

Info

ID:	122882
PubChem CID:	50825428
Reduced:	ON2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	416.221226
ΔH_f, kcal/mol:	-60.87
Dipole, Da:	4.4
IP(EA), eV:	-8.08(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-acetamido-4-methylquinolin-2-yl)-N-benzylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)C2CCN(CC2)C3=NC4=C(C=C(C=C4)NC(=O)C)C(=C3)C)C

DOS

IR

Vibrations