Geometry & MOs

Info

ID:	375445
PubChem CID:	131529748
Reduced:	BrClON2H6C8 (1)
Stoich.:	ABCD2E6F8 (1)
Weight, g/mol:	259.97607
ΔH_f, kcal/mol:	8.04
Dipole, Da:	3.39
IP(EA), eV:	-9.33(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(3-bromo-2,4-difluorophenyl)propanenitrile

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1Cl)Br)O)C(C#N)N

DOS

IR

Vibrations