Geometry & MOs

Info

ID:	211059
PubChem CID:	80890487
Reduced:	OSN6C12H18 (1)
Stoich.:	ABC6D12E18 (1)
Weight, g/mol:	294.97788
ΔH_f, kcal/mol:	23.19
Dipole, Da:	8.54
IP(EA), eV:	-9.36(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-bromopyridin-2-yl)sulfanyl-N-methylpyridin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)SC(C)CCO)N2C=CN=C2

DOS

IR

Vibrations