Geometry & MOs

Info

ID:	343622
PubChem CID:	127266798
Reduced:	Cl2N3O3C21H25 (1)
Stoich.:	A2B3C3D21E25 (1)
Weight, g/mol:	400.211055
ΔH_f, kcal/mol:	-87.25
Dipole, Da:	4.68
IP(EA), eV:	-9.69(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)C2=NOC(=N2)C3(CCOCC3)NC(=O)CCC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations