Geometry & MOs

Info

ID:	176468
PubChem CID:	76054236
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	378.136176
ΔH_f, kcal/mol:	-43.04
Dipole, Da:	7.63
IP(EA), eV:	-8.93(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-oxo-3H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)CC2=C(C3C(=NN(C3=O)C)N=C2C)C

DOS

IR

Vibrations