Geometry & MOs

Info

ID:

215034

PubChem CID:

85084032

Reduced:

OSN7C28H33 (1)

Stoich.:

ABC7D28E33 (1)

Weight, g/mol:

678.325372

ΔHf, kcal/mol:

128.41

Dipole, Da:

12.02

IP(EA), eV:

 -8.9(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[5-propyl-4-[[4-[2-(tetrazolidin-5-yl)phenyl]phenyl]methyl]-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxyethanone

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4NNNN4)SCC5=CC=CC=C5CO

DOS

IR

Vibrations