Geometry & MOs

Info

ID:	155315
PubChem CID:	56352902
Reduced:	ClO3N4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	386.174276
ΔH_f, kcal/mol:	-78.8
Dipole, Da:	3.17
IP(EA), eV:	-9.83(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethylphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NCCC1=NC(=NO1)C)NC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations