Geometry & MOs

Info

ID:	365688
PubChem CID:	127318413
Reduced:	N3O3C20H31 (1)
Stoich.:	A3B3C20D31 (1)
Weight, g/mol:	312.147393
ΔH_f, kcal/mol:	-116.48
Dipole, Da:	4.64
IP(EA), eV:	-9.73(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxan-4-yl)-5-(3,4,7-trimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)NC2CCC(CC2)C3=NC(=NO3)C4CCOCC4

DOS

IR

Vibrations