Geometry & MOs

Info

ID:	378058
PubChem CID:	134224127
Reduced:	BrFNC7H7 (1)
Stoich.:	ABCD7E7 (1)
Weight, g/mol:	280.94682
ΔH_f, kcal/mol:	-29.57
Dipole, Da:	3.92
IP(EA), eV:	-9.78(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-iodo-5-propan-2-ylpyridine

Drug info:

PubChemData

Smile

CCC1=CC(=C(N=C1)Br)F

DOS

IR

Vibrations