Geometry & MOs

Info

ID:	266956
PubChem CID:	103580210
Reduced:	BrClON2C10H12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	316.93891
ΔH_f, kcal/mol:	-23.13
Dipole, Da:	2.44
IP(EA), eV:	-8.57(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1CC(N(C1)C2=C(C=C(C=N2)Br)Cl)CO

DOS

IR

Vibrations