Geometry & MOs

Info

ID:	374523
PubChem CID:	131330855
Reduced:	BrClNF3H4C9 (1)
Stoich.:	ABCD3E4F9 (1)
Weight, g/mol:	296.91677
ΔH_f, kcal/mol:	-115.49
Dipole, Da:	2.85
IP(EA), eV:	-10.28(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-3-chloro-5-(trifluoromethyl)phenyl]acetonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations