Geometry & MOs

Info

ID:	122881
PubChem CID:	50825408
Reduced:	N2O2C13H17 (2)
Stoich.:	A2B2C13D17 (2)
Weight, g/mol:	430.236876
ΔH_f, kcal/mol:	-169.33
Dipole, Da:	3.43
IP(EA), eV:	-7.86(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-acetamido-4-methylquinolin-2-yl)-N-(3,5-dimethylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN(C1)C(=O)C2CCN(CC2)C3=NC4=C(C=C(C=C4)NC(=O)C)C(=C3)C

DOS

IR

Vibrations