Geometry & MOs

Info

ID:	436618
PubChem CID:	135206170
Reduced:	F2O4N5C36H39 (1)
Stoich.:	A2B4C5D36E39 (1)
Weight, g/mol:	334.80096
ΔH_f, kcal/mol:	-164.5
Dipole, Da:	5.49
IP(EA), eV:	-8.77(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-4-fluoro-3-iodopyridine

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1[C@@H](C(=O)O)OC(C)(C)C)N2CCC(CC2)(C)C)C3=CC(=C(C(=C3)F)CNC4=NC=NC5=C4OC6=CC=CC=C65)F

DOS

IR

Vibrations