Geometry & MOs

Info

ID:	445269
PubChem CID:	135265682
Reduced:	BrFSN3C9H9 (1)
Stoich.:	ABCD3E9F9 (1)
Weight, g/mol:	395.111
ΔH_f, kcal/mol:	11.94
Dipole, Da:	2.91
IP(EA), eV:	-8.81(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-iodo-2-methylpentan-2-yl)-2-[(1E,3Z,5E)-4-methylhepta-1,3,5-trienyl]pyridine

Drug info:

PubChemData

Smile

CSC(=N)/N=C(/C1=C(C=C(C=C1)Br)F)\N

DOS

IR

Vibrations