Geometry & MOs

Info

ID:	343623
PubChem CID:	127266799
Reduced:	N4O4C21H28 (1)
Stoich.:	A4B4C21D28 (1)
Weight, g/mol:	449.171749
ΔH_f, kcal/mol:	-92.96
Dipole, Da:	3.12
IP(EA), eV:	-8.74(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-3-methylphenoxy)-N-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]propanamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1(CCOCC1)C2=NC(=NO2)C3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations