Geometry & MOs

Info

ID:

81619

PubChem CID:

49854930

Reduced:

N3O4C43H51 (1)

Stoich.:

A3B4C43D51 (1)

Weight, g/mol:

725.419257

ΔHf, kcal/mol:

-14.11

Dipole, Da:

2.18

IP(EA), eV:

 -8.24(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-oxo-7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-3-yl]methyl (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate

Drug info:

PubChemData

Smile

CC/C=C/C/C=C/C/C=C/C/C=C/CCCCC(=O)OCN1C2=C(C(=CC=C2)N3CCN(CC3)CC4=CC(=CC=C4)C5=CC=CC=C5)OC1=O

DOS

IR

Vibrations