Geometry & MOs

Info

ID:	85628
PubChem CID:	49877765
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	450.145868
ΔH_f, kcal/mol:	-95.86
Dipole, Da:	3.81
IP(EA), eV:	-8.67(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(CNC(=O)C1=CC2=CC=CC=C2OC1=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations