Geometry & MOs

Info

ID:	124337
PubChem CID:	50879484
Reduced:	ClNC5H7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	289.038482
ΔH_f, kcal/mol:	-7.89
Dipole, Da:	3.43
IP(EA), eV:	-8.69(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dichloro-4-nitrophenyl)-4-methylpiperazine

Drug info:

PubChemData

Smile

CCN(CC)C1=C(C=C(C=C1Cl)Cl)N

DOS

IR

Vibrations