Geometry & MOs

Info

ID:	448262
PubChem CID:	135289707
Reduced:	NO2C26H53 (1)
Stoich.:	AB2C26D53 (1)
Weight, g/mol:	389.94947
ΔH_f, kcal/mol:	-197.06
Dipole, Da:	3.14
IP(EA), eV:	-9.45(1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-(2-chloro-5-methylpyrimidin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC[NH3+]

DOS

IR

Vibrations