Geometry & MOs

Info

ID:	280614
PubChem CID:	103850208
Reduced:	NO3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	184.078268
ΔH_f, kcal/mol:	-160.39
Dipole, Da:	3.39
IP(EA), eV:	-9.59(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(2-methylsulfanylethyl)pyrazine-2,3-diamine

Drug info:

PubChemData

Smile

C1CCC(C1)(CNC(=O)[C@H]2CCCO2)O

DOS

IR

Vibrations