Geometry & MOs

Info

ID:	382299
PubChem CID:	134973365
Reduced:	SiO9C30H42 (1)
Stoich.:	AB9C30D42 (1)
Weight, g/mol:	220.081205
ΔH_f, kcal/mol:	-367.84
Dipole, Da:	7.53
IP(EA), eV:	-8.29(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-[2-(2-fluoropyridin-4-yl)ethyl]pyridine

Drug info:

PubChemData

Smile

CCC[C@H]/1[C@H]([C@@H](C[C@@H]2C(=CC[Si](O2)(C)C)C/C(=C1/C(=O)OC)/C(=O)OC)OCC3=CC=C(C=C3)OC)OC(=O)C

DOS

IR

Vibrations