Geometry & MOs

Info

ID:	350413
PubChem CID:	127277775
Reduced:	SN2O3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-116.01
Dipole, Da:	2.55
IP(EA), eV:	-8.17(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NC2=CC3=C(C=C2)OCCC3

DOS

IR

Vibrations