Geometry & MOs

Info

ID:	372554
PubChem CID:	131299622
Reduced:	SO2H10C12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	218.121927
ΔH_f, kcal/mol:	-10.52
Dipole, Da:	4.15
IP(EA), eV:	-8.78(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-methyl-5-piperidin-3-ylbenzonitrile

Drug info:

PubChemData

Smile

CSC1=CC=C(O1)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations