Geometry & MOs

Info

ID:	288230
PubChem CID:	104313840
Reduced:	FBr2N2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	367.07178
ΔH_f, kcal/mol:	1.56
Dipole, Da:	3.34
IP(EA), eV:	-9.22(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine

Drug info:

PubChemData

Smile

CCNC(CC1=CC(=CC(=C1)Br)F)C2=C(C=CC=N2)Br

DOS

IR

Vibrations