Geometry & MOs

Info

ID:	361460
PubChem CID:	127303548
Reduced:	ClON2C9H10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	369.18009
ΔH_f, kcal/mol:	3.32
Dipole, Da:	4.53
IP(EA), eV:	-9.38(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C3CC3C4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations