Geometry & MOs

Info

ID:	351354
PubChem CID:	127280242
Reduced:	ClON2C9H9 (2)
Stoich.:	ABC2D9E9 (2)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	-13.22
Dipole, Da:	4.3
IP(EA), eV:	-8.69(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)C3=C(C4=C(N3)C=CC(=C4)Cl)Cl

DOS

IR

Vibrations