Geometry & MOs

Info

ID:	211045
PubChem CID:	80888250
Reduced:	BrSN3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	246.093918
ΔH_f, kcal/mol:	69.44
Dipole, Da:	3.7
IP(EA), eV:	-8.81(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propyl-6-pyrimidin-2-ylsulfanylpyridin-2-amine

Drug info:

PubChemData

Smile

CNC1=NC=C(C(=N1)SCC2=CC=CC=C2)Br

DOS

IR

Vibrations