Geometry & MOs

Info

ID:	407402
PubChem CID:	135080028
Reduced:	BrON2H15C17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	286.067304
ΔH_f, kcal/mol:	47.59
Dipole, Da:	5.74
IP(EA), eV:	-9.05(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-chloroanilino)-2-(4-fluorophenyl)but-2-enenitrile

Drug info:

PubChemData

Smile

C/C(=C(\C#N)/C1=CC=C(C=C1)Br)/NC2=CC=CC=C2OC

DOS

IR

Vibrations