Geometry & MOs

Info

ID:

85586

PubChem CID:

49877330

Reduced:

ClNSH7C8 (1)

Stoich.:

ABCD7E8 (1)

Weight, g/mol:

317.082358

ΔHf, kcal/mol:

38.78

Dipole, Da:

2.13

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.134184

Charge, e:

 -1

Chem-info

IUPAC name:

2-chloro-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone;chloride

Drug info:

PubChemData

Smile

C1=CC2=C(C=CS2)C=C1N.[Cl-]

DOS

IR

Vibrations