Geometry & MOs

Info

ID:	183157
PubChem CID:	76983909
Reduced:	SN5C9H9 (1)
Stoich.:	AB5C9D9 (1)
Weight, g/mol:	296.140389
ΔH_f, kcal/mol:	121.3
Dipole, Da:	3.66
IP(EA), eV:	-9.03(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N'-hydroxy-4-(4-propylpiperazin-1-yl)benzenecarboximidamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2NNC(=N2)C3=CNN=C3

DOS

IR

Vibrations