Geometry & MOs

Info

ID:	270884
PubChem CID:	103638537
Reduced:	BrSN4H9C11 (1)
Stoich.:	ABC4D9E11 (1)
Weight, g/mol:	233.164046
ΔH_f, kcal/mol:	112.04
Dipole, Da:	4.01
IP(EA), eV:	-9.4(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[methyl(propan-2-yl)amino]propylamino]pyrazine-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CN=C(C(=N1)C#N)NCCC2=CC=C(S2)Br

DOS

IR

Vibrations