Geometry & MOs

Info

ID:	271948
PubChem CID:	103704587
Reduced:	SO2N3C12H19 (1)
Stoich.:	AB2C3D12E19 (1)
Weight, g/mol:	240.140868
ΔH_f, kcal/mol:	-5.76
Dipole, Da:	8.21
IP(EA), eV:	-9.04(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(2-ethyl-2-methylsulfanylbutyl)pyrazine-2,6-diamine

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=C(C=NC=C1)[N+](=O)[O-])SC

DOS

IR

Vibrations