Geometry & MOs

Info

ID:	303482
PubChem CID:	124489797
Reduced:	Cl2F3C8H11 (1)
Stoich.:	A2B3C8D11 (1)
Weight, g/mol:	185.045234
ΔH_f, kcal/mol:	-186.36
Dipole, Da:	3.44
IP(EA), eV:	-10.71(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3,3,3-trifluoro-2-phenylpropanenitrile

Drug info:

PubChemData

Smile

CCCC/C=C\[C@@](C(F)(F)Cl)(F)Cl

DOS

IR

Vibrations