Geometry & MOs

Info

ID:	365670
PubChem CID:	127318391
Reduced:	N3O4C16H17 (1)
Stoich.:	A3B4C16D17 (1)
Weight, g/mol:	334.200491
ΔH_f, kcal/mol:	-80.87
Dipole, Da:	2.29
IP(EA), eV:	-9.22(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1C(=O)NC2=CC=CC(=C2O1)C3=NC(=NO3)C4CCOCC4

DOS

IR

Vibrations