Geometry & MOs

Info

ID:

439624

PubChem CID:

135229410

Reduced:

NOH39C64 (1)

Stoich.:

ABC39D64 (1)

Weight, g/mol:

688.251464

ΔHf, kcal/mol:

246.57

Dipole, Da:

2.17

IP(EA), eV:

 -7.99(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-phenyl-10-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC3=C(C=C2)C4=CC=CC=C4C35C6=C(C7=CC=CC=C7C=C6)OC8=C5C=CC9=CC=CC=C98)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations