Geometry & MOs

Info

ID:	345689
PubChem CID:	127269989
Reduced:	NO2C15H25 (1)
Stoich.:	AB2C15D25 (1)
Weight, g/mol:	367.153206
ΔH_f, kcal/mol:	-110.87
Dipole, Da:	3.18
IP(EA), eV:	-9.15(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)N2CCOC3C2CCC3

DOS

IR

Vibrations