Geometry & MOs

Info

ID:	365693
PubChem CID:	127318418
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	362.0266
ΔH_f, kcal/mol:	-86.0
Dipole, Da:	5.54
IP(EA), eV:	-9.77(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-bromo-2H-chromen-3-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCC(=O)N(CC1)CC2=NC(=NO2)C3CCOCC3

DOS

IR

Vibrations