Geometry & MOs

Info

ID:

175958

PubChem CID:

75974069

Reduced:

ClFO4N5C21H23 (1)

Stoich.:

ABC4D5E21F23 (1)

Weight, g/mol:

498.239082

ΔHf, kcal/mol:

-142.68

Dipole, Da:

5.0

IP(EA), eV:

 -9.08(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-ethyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(furan-2-ylmethyl)-3-methyl-2,3,3a,7a-tetrahydropyrazolo[4,3-d]pyrimidine-5,7-dione

Drug info:

PubChemData

Smile

CCN1C2C(C(N1)C)N(C(=O)N(C2=O)CC3=CC=CO3)CC(=O)NC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations