Geometry & MOs

Info

ID:	288373
PubChem CID:	104315864
Reduced:	OBr2N4C12H14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	344.99353
ΔH_f, kcal/mol:	25.2
Dipole, Da:	5.34
IP(EA), eV:	-8.88(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCNCC1=CN=C(N1)C2=C(C=C(C=N2)Br)Br

DOS

IR

Vibrations