Geometry & MOs

Info

ID:	267527
PubChem CID:	103582605
Reduced:	BrClN2C12H18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	259.97159
ΔH_f, kcal/mol:	-8.09
Dipole, Da:	2.9
IP(EA), eV:	-8.7(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-but-3-enyl-3-chloropyridin-2-amine

Drug info:

PubChemData

Smile

CC(CNC1=C(C=C(C=N1)Br)Cl)C(C)(C)C

DOS

IR

Vibrations