Geometry & MOs

Info

ID:	309934
PubChem CID:	126568350
Reduced:	SN7H19C24 (1)
Stoich.:	AB7C19D24 (1)
Weight, g/mol:	354.088353
ΔH_f, kcal/mol:	218.69
Dipole, Da:	8.96
IP(EA), eV:	-8.45(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-chloropyridin-3-yl)-N-[4-[2-(1,3,4-oxadiazol-2-yl)ethyl]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)C1=CN=CC(=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=CC=CS6)N=C2

DOS

IR

Vibrations