Geometry & MOs

Info

ID:	342948
PubChem CID:	127266111
Reduced:	Cl2N3O3C18H21 (1)
Stoich.:	A2B3C3D18E21 (1)
Weight, g/mol:	343.153206
ΔH_f, kcal/mol:	-81.06
Dipole, Da:	6.71
IP(EA), eV:	-9.42(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2(CCOCC2)NC(=O)CCCC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations