Geometry & MOs

Info

ID:	369124
PubChem CID:	127331347
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	367.16444
ΔH_f, kcal/mol:	4.83
Dipole, Da:	6.45
IP(EA), eV:	-8.36(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C(=O)C(=N1)C(=O)N3CCCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations