Geometry & MOs

Info

ID:

324779

PubChem CID:

126678336

Reduced:

ON2H30C52 (1)

Stoich.:

AB2C30D52 (1)

Weight, g/mol:

677.253384

ΔHf, kcal/mol:

229.17

Dipole, Da:

1.61

IP(EA), eV:

 -8.04(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-[[chloro-(4-ethylpiperazin-1-yl)phosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C=CC5=C4C6=CC=CC=C6O5)C7=C3C8=C(C=C7)C9=CC=CC=C9N8C1=C2C=CC=C3C2=C(C=C1)C1=CC=CC=C13

DOS

IR

Vibrations