Geometry & MOs

Info

ID:	425251
PubChem CID:	135125649
Reduced:	ClON3F5H15C19 (1)
Stoich.:	ABC3D5E15F19 (1)
Weight, g/mol:	300.89668
ΔH_f, kcal/mol:	-203.95
Dipole, Da:	4.45
IP(EA), eV:	-9.58(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-fluoro-2-[(Z)-1-fluoro-2-iodoethenyl]pyridine

Drug info:

PubChemData

Smile

C[C@]1(CO[C@@](C=N1)(C)C(F)(F)F)C2=C(C=CC(=C2)/C=C(/C3=CN=C(C=N3)Cl)\F)F

DOS

IR

Vibrations