Geometry & MOs

Info

ID:	317593
PubChem CID:	126644240
Reduced:	BrFNOC12H15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	267.117176
ΔH_f, kcal/mol:	-74.57
Dipole, Da:	3.2
IP(EA), eV:	-9.54(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]pyridine

Drug info:

PubChemData

Smile

C1C[C@@H]([C@H](C1)OCC2=C(C=C(C=C2)Br)F)N

DOS

IR

Vibrations