Geometry & MOs

Info

ID:	169851
PubChem CID:	75157083
Reduced:	ClN2O4H21C23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	416.184841
ΔH_f, kcal/mol:	-116.09
Dipole, Da:	4.16
IP(EA), eV:	-9.02(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(7-methyl-2-oxoquinolin-3-ylidene)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]butanamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1Cl)C(=O)C2=CC(=CC=C2)NC(=O)C3C4CC5C3C(=O)OC5C4

DOS

IR

Vibrations