Geometry & MOs

Info

ID:	143166
PubChem CID:	53156701
Reduced:	O4N5H21C22 (1)
Stoich.:	A4B5C21D22 (1)
Weight, g/mol:	402.144038
ΔH_f, kcal/mol:	-48.14
Dipole, Da:	1.2
IP(EA), eV:	-8.63(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-2-[6-oxo-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NC(=CC2=NN(C(=O)N12)CC(=O)NC3=CC=CC=C3OC)C4=CC=C(C=C4)OC

DOS

IR

Vibrations