Geometry & MOs

Info

ID:	208349
PubChem CID:	80522404
Reduced:	ClON2H11C17 (1)
Stoich.:	ABC2D11E17 (1)
Weight, g/mol:	296.108026
ΔH_f, kcal/mol:	75.97
Dipole, Da:	4.99
IP(EA), eV:	-9.33(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(4-tert-butylphenyl)-3-chloro-2-pyridin-3-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=C2)/C(=C(/C#N)\C3=CN=CC=C3)/Cl

DOS

IR

Vibrations