Geometry & MOs

Info

ID:	283854
PubChem CID:	104012909
Reduced:	ClFN3H9C14 (1)
Stoich.:	ABC3D9E14 (1)
Weight, g/mol:	289.017353
ΔH_f, kcal/mol:	43.57
Dipole, Da:	7.23
IP(EA), eV:	-9.28(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-amino-3-(2,6-dichlorophenyl)-2-pyridin-4-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)/C(=C(\C#N)/C2=CC=NC=C2)/N)F

DOS

IR

Vibrations