Geometry & MOs

Info

ID:	122890
PubChem CID:	50825602
Reduced:	OSN7C22H31 (1)
Stoich.:	ABC7D22E31 (1)
Weight, g/mol:	439.25834
ΔH_f, kcal/mol:	35.51
Dipole, Da:	5.5
IP(EA), eV:	-8.32(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-acetamido-4-methylquinolin-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)N1CCN(CC1)C2=NN3C(=C(N=C3S2)C4=CC=CC=C4)NC(C)(C)C

DOS

IR

Vibrations