Geometry & MOs

Info

ID:

226139

PubChem CID:

87325889

Reduced:

N2O5H40C46 (1)

Stoich.:

A2B5C40D46 (1)

Weight, g/mol:

700.293722

ΔHf, kcal/mol:

-34.53

Dipole, Da:

6.93

IP(EA), eV:

 -8.25(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[bis(4-methoxyphenyl)-phenylmethoxy]-4-[4-(1H-phenanthro[9,10-d]imidazol-2-yl)phenoxy]butan-2-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@H](CCOC4=CC=C(C=C4)C5=NC6=C(N5)C7=CC=CC=C7C8=CC=CC=C86)O

DOS

IR

Vibrations