Geometry & MOs

Info

ID:	365680
PubChem CID:	127318401
Reduced:	N3O3C19H29 (1)
Stoich.:	A3B3C19D29 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-109.38
Dipole, Da:	4.68
IP(EA), eV:	-9.65(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azocan-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations