Geometry & MOs

Info

ID:

439959

PubChem CID:

135229830

Reduced:

NOH47C64 (1)

Stoich.:

ABC47D64 (1)

Weight, g/mol:

688.251464

ΔHf, kcal/mol:

241.77

Dipole, Da:

2.13

IP(EA), eV:

 -8.03(-0.78)

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]-4'-ylphenazine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC5=C(C=C4)C6=CC=CC=C6C5(C)C)C78CC7C9=C(C=C8)C1(C2=C(C3=CC=CC=C3C=C2)OC2=C1C=CC1=CC=CC=C12)C1=CC=CC=C19)C

DOS

IR

Vibrations