Geometry & MOs

Info

ID:	387850
PubChem CID:	134987131
Reduced:	ClN4H9C13 (1)
Stoich.:	AB4C9D13 (1)
Weight, g/mol:	141.053826
ΔH_f, kcal/mol:	107.82
Dipole, Da:	7.22
IP(EA), eV:	-9.01(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-3-methyl-4-oxidopyrazin-4-ium-2-imine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NN=N2)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations