Geometry & MOs

Info

ID:

442135

PubChem CID:

135250041

Reduced:

N2O2H40C51 (1)

Stoich.:

A2B2C40D51 (1)

Weight, g/mol:

656.246378

ΔHf, kcal/mol:

92.64

Dipole, Da:

2.12

IP(EA), eV:

 -8.48(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]phenyl]-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

CC1(CN=C(O1)C2=CC=C(C=C2)C3=CC4=C(C=C3)C5=C(C=C4)C6=C(C57C8=CC=CC=C8C9=CC=CC=C79)C=C(C=C6)C1=CC=C(C=C1)C1=NCC(O1)(C)C)C

DOS

IR

Vibrations