Geometry & MOs

Info

ID:	422539
PubChem CID:	135118008
Reduced:	ClO3N5C19H22 (1)
Stoich.:	AB3C5D19E22 (1)
Weight, g/mol:	334.146347
ΔH_f, kcal/mol:	-39.64
Dipole, Da:	3.09
IP(EA), eV:	-9.22(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-propoxypiperidin-1-yl)-5-(pyridin-4-ylsulfanylmethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)CCCC2=NC(=NO2)C3=CC=CC=C3Cl

DOS

IR

Vibrations