Geometry & MOs

Info

ID:	172169
PubChem CID:	75474377
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	391.093498
ΔH_f, kcal/mol:	-18.93
Dipole, Da:	5.41
IP(EA), eV:	-8.89(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-3-methyl-1-benzofuran-2-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=CC=C2)C)C3COCCN3CC(=O)NC4CC4

DOS

IR

Vibrations