Geometry & MOs

Info

ID:	267518
PubChem CID:	103582525
Reduced:	BrClN2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	271.97159
ΔH_f, kcal/mol:	25.51
Dipole, Da:	3.17
IP(EA), eV:	-8.61(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-(2-methylbut-3-yn-2-yl)pyridin-2-amine

Drug info:

PubChemData

Smile

CC(CC1CC1)NC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations