Geometry & MOs

Info

ID:	343624
PubChem CID:	127266800
Reduced:	ClN3O5C22H28 (1)
Stoich.:	AB3C5D22E28 (1)
Weight, g/mol:	435.156099
ΔH_f, kcal/mol:	-158.53
Dipole, Da:	2.0
IP(EA), eV:	-9.14(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC(C)C(=O)NC2(CCOCC2)C3=NC(=NO3)C4CCOCC4)Cl

DOS

IR

Vibrations