Geometry & MOs

Info

ID:	423449
PubChem CID:	135119521
Reduced:	ClO2N3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	262.088832
ΔH_f, kcal/mol:	-44.52
Dipole, Da:	6.89
IP(EA), eV:	-8.48(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyridin-3-yl-5-(thiomorpholin-4-ylmethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=CN=C(C=C1)CN(C)CC(=O)NC2=CC(=C(C=C2)OC)Cl

DOS

IR

Vibrations