Geometry & MOs

Info

ID:	267512
PubChem CID:	103582489
Reduced:	BrClN2O2H12C14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	243.94029
ΔH_f, kcal/mol:	-30.6
Dipole, Da:	2.41
IP(EA), eV:	-8.98(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-prop-2-ynylpyridin-2-amine

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC=CC=C1)NC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations