Geometry & MOs

Info

ID:	77552
PubChem CID:	49655396
Reduced:	ClN2O4H17C20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	311.159354
ΔH_f, kcal/mol:	-107.28
Dipole, Da:	5.26
IP(EA), eV:	-8.79(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(methylamino)propyl]-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C2=CC=CC=C2C=C1)CNC(=O)C(=O)NC3=C(C=CC(=C3)Cl)O

DOS

IR

Vibrations