Geometry & MOs

Info

ID:	128893
PubChem CID:	51062578
Reduced:	ClN3O3C29H42 (1)
Stoich.:	AB3C3D29E42 (1)
Weight, g/mol:	385.957253
ΔH_f, kcal/mol:	-41.77
Dipole, Da:	10.82
IP(EA), eV:	-8.64(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,5-tetrachloro-6-(4-methylpiperazine-1-carbonyl)benzoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)Cl)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations