Geometry & MOs

Info

ID:	288346
PubChem CID:	104315190
Reduced:	Br2F2N2H14C15 (1)
Stoich.:	A2B2C2D14E15 (1)
Weight, g/mol:	330.97788
ΔH_f, kcal/mol:	-45.61
Dipole, Da:	2.84
IP(EA), eV:	-8.89(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(5-bromopyridin-2-yl)-1,3-thiazol-4-yl]aniline

Drug info:

PubChemData

Smile

CCCNC(C1=CC(=CC(=C1)F)F)C2=C(C=C(C=N2)Br)Br

DOS

IR

Vibrations