Geometry & MOs

Info

ID:	346311
PubChem CID:	127270815
Reduced:	ON3C10H11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	381.125946
ΔH_f, kcal/mol:	70.03
Dipole, Da:	5.3
IP(EA), eV:	-9.35(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropyl-1,3-thiazol-4-yl)-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C(=O)N2CCC(CC2)C3=NC(=NO3)C4=CC=CC=N4)C5CC5

DOS

IR

Vibrations