Geometry & MOs

Info

ID:	288166
PubChem CID:	104312400
Reduced:	BrN2F3H10C13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	339.04048
ΔH_f, kcal/mol:	-99.65
Dipole, Da:	3.34
IP(EA), eV:	-9.86(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromopyridin-2-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(C2=NC=C(C=C2)Br)N)C(F)(F)F

DOS

IR

Vibrations