Geometry & MOs

Info

ID:	146072
PubChem CID:	53630956
Reduced:	Cl2O3N7C24H25 (1)
Stoich.:	A2B3C7D24E25 (1)
Weight, g/mol:	170.116761
ΔH_f, kcal/mol:	33.34
Dipole, Da:	1.11
IP(EA), eV:	-8.82(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylidenepiperazin-4-ium-1-yl)-N'-oxidoethanimidamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2=NOC(=N2)COC3=C(C=C4C(=C3)N=CN=C4NC5=CC(=C(C=C5)Cl)Cl)OC

DOS

IR

Vibrations