Geometry & MOs

Info

ID:	1601
PubChem CID:	4755
Reduced:	ClON7C12H12 (1)
Stoich.:	ABC7D12E12 (1)
Weight, g/mol:	305.079186
ΔH_f, kcal/mol:	37.34
Dipole, Da:	1.9
IP(EA), eV:	-8.58(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diamino-N-[amino(anilino)methylidene]-6-chloropyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=NC(=O)C2=C(N=C(C(=N2)Cl)N)N)N

DOS

IR

Vibrations