Geometry & MOs

Info

ID:	124338
PubChem CID:	50879524
Reduced:	Cl2O2N3C11H13 (1)
Stoich.:	A2B2C3D11E13 (1)
Weight, g/mol:	259.064303
ΔH_f, kcal/mol:	9.47
Dipole, Da:	6.31
IP(EA), eV:	-8.89(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-4-(4-methylpiperazin-1-yl)aniline

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl

DOS

IR

Vibrations