Geometry & MOs

Info

ID:

81517

PubChem CID:

49854818

Reduced:

O4N5C31H35 (1)

Stoich.:

A4B5C31D35 (1)

Weight, g/mol:

613.290034

ΔHf, kcal/mol:

-77.68

Dipole, Da:

4.81

IP(EA), eV:

 -8.45(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-ethoxy-2-oxo-1-[2-oxo-7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-3-yl]ethyl] 4-methylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)OCN2C3=C(C(=CC=C3)N4CCN(CC4)CC5=CC(=CC=C5)C6=CC=CC=C6)OC2=O

DOS

IR

Vibrations