Geometry & MOs

Info

ID:	167016
PubChem CID:	74765906
Reduced:	ClN2O3C9H15 (1)
Stoich.:	AB2C3D9E15 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	-170.36
Dipole, Da:	4.52
IP(EA), eV:	-9.24(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-4-[(3E)-3-(6-methyl-2-oxoquinolin-3-ylidene)-1,2,4-oxadiazol-5-yl]butanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C[C@@H](C(=O)N)[NH3+])O.O.[Cl-]

DOS

IR

Vibrations