Geometry & MOs

Info

ID:	158063
PubChem CID:	56459453
Reduced:	ClO3N4C25H29 (1)
Stoich.:	AB3C4D25E29 (1)
Weight, g/mol:	322.092912
ΔH_f, kcal/mol:	-62.13
Dipole, Da:	3.45
IP(EA), eV:	-8.96(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4,4,4-trifluoro-N-(6-methoxypyridin-3-yl)-3-phenylbut-2-enamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(C1)C(=O)NC2CCN(CC2)CC3=CC=C(C=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations