Geometry & MOs

Info

ID:	120822
PubChem CID:	50746079
Reduced:	N3O4H21C24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	400.153541
ΔH_f, kcal/mol:	-26.68
Dipole, Da:	3.19
IP(EA), eV:	-8.76(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NOC(=N2)C3=CC=CC=C3OCC(=O)NC4=CC(=CC=C4)OC

DOS

IR

Vibrations