Geometry & MOs

Info

ID:	184972
PubChem CID:	77236146
Reduced:	ClN4O4C24H29 (1)
Stoich.:	AB4C4D24E29 (1)
Weight, g/mol:	436.211055
ΔH_f, kcal/mol:	-93.46
Dipole, Da:	7.13
IP(EA), eV:	-8.74(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]-3aH-1,2-benzoxazol-6-one

Drug info:

PubChemData

Smile

C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=NOC5=CC(=O)C=CC54.Cl

DOS

IR

Vibrations