Geometry & MOs

Info

ID:	276028
PubChem CID:	103820048
Reduced:	BrN5C12H16 (1)
Stoich.:	AB5C12D16 (1)
Weight, g/mol:	226.125218
ΔH_f, kcal/mol:	62.48
Dipole, Da:	5.0
IP(EA), eV:	-9.21(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(4-ethylsulfanylbutan-2-yl)pyrazine-2,3-diamine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=NN=C3N2CCCC3)C)Br

DOS

IR

Vibrations