Geometry & MOs

Info

ID:	64560
PubChem CID:	29202869
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	432.10486
ΔH_f, kcal/mol:	-49.69
Dipole, Da:	3.86
IP(EA), eV:	-9.0(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4-methylphenoxy)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=CS4

DOS

IR

Vibrations