Geometry & MOs

Info

ID:	378033
PubChem CID:	134224101
Reduced:	NPO5C10H20 (1)
Stoich.:	ABC5D10E20 (1)
Weight, g/mol:	258.153227
ΔH_f, kcal/mol:	-278.99
Dipole, Da:	5.21
IP(EA), eV:	-9.78(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-[1-(5-propan-2-ylpyridin-3-yl)propan-2-yl]pyridine

Drug info:

PubChemData

Smile

CCOP(=O)(C(=N)C(=O)OC(C)(C)C)OCC

DOS

IR

Vibrations