Geometry & MOs

Info

ID:	267520
PubChem CID:	103582538
Reduced:	BrClN2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	325.94914
ΔH_f, kcal/mol:	20.08
Dipole, Da:	2.9
IP(EA), eV:	-8.69(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-(1-methylsulfonylpropan-2-yl)pyridin-2-amine

Drug info:

PubChemData

Smile

C1CC2CC1CC2NC3=C(C=C(C=N3)Br)Cl

DOS

IR

Vibrations