Geometry & MOs

Info

ID:	375446
PubChem CID:	131529752
Reduced:	BrF2N2H7C9 (1)
Stoich.:	AB2C2D7E9 (1)
Weight, g/mol:	259.97607
ΔH_f, kcal/mol:	-33.2
Dipole, Da:	3.57
IP(EA), eV:	-9.93(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(5-bromo-2,4-difluorophenyl)propanenitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1C(CN)C#N)F)Br)F

DOS

IR

Vibrations