Geometry & MOs

Info

ID:	120877
PubChem CID:	50748263
Reduced:	O3N5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	408.216141
ΔH_f, kcal/mol:	-38.77
Dipole, Da:	6.21
IP(EA), eV:	-8.96(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(6-methyl-2-oxo-1-propan-2-ylpyridin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide

Drug info:

PubChemData

Smile

CCCN1C(=CC=C(C1=O)C2=NOC(=N2)CCC(=O)NC3=C(C=CC=N3)C)C

DOS

IR

Vibrations