Geometry & MOs

Info

ID:	290766
PubChem CID:	110475065
Reduced:	OSN5H9C11 (1)
Stoich.:	ABC5D9E11 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	71.45
Dipole, Da:	7.91
IP(EA), eV:	-9.34(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methoxyquinolin-3-yl)-piperazin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC(=O)C2=CC=CN3C2=NC=C3

DOS

IR

Vibrations