Geometry & MOs

Info

ID:	283853
PubChem CID:	104012836
Reduced:	ON3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	273.046903
ΔH_f, kcal/mol:	55.81
Dipole, Da:	7.06
IP(EA), eV:	-9.25(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-amino-3-(2-chloro-6-fluorophenyl)-2-pyridin-4-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)/C(=C(/C#N)\C2=CN=CC=C2)/N

DOS

IR

Vibrations