Geometry & MOs

Info

ID:	371833
PubChem CID:	131274084
Reduced:	Cl2O2F3H5C9 (1)
Stoich.:	A2B2C3D5E9 (1)
Weight, g/mol:	156.106277
ΔH_f, kcal/mol:	-228.76
Dipole, Da:	4.35
IP(EA), eV:	-9.93(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-3-piperidin-4-ylpropanenitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1O)C(F)(F)F)C(=O)CCl)Cl

DOS

IR

Vibrations