Geometry & MOs

Info

ID:	372458
PubChem CID:	131297964
Reduced:	ClN2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	225.09652
ΔH_f, kcal/mol:	28.3
Dipole, Da:	3.56
IP(EA), eV:	-8.62(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4,5-difluoro-2-(hydroxymethyl)phenyl]-2,2-dimethylpropanenitrile

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C=C(C(=C2N1)Cl)C)C#N

DOS

IR

Vibrations