Geometry & MOs

Info

ID:

439640

PubChem CID:

135229426

Reduced:

NOH33C48 (1)

Stoich.:

ABC33D48 (1)

Weight, g/mol:

781.243936

ΔHf, kcal/mol:

144.77

Dipole, Da:

1.23

IP(EA), eV:

 -7.82(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,7-diphenyl-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'-ylphenothiazine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC5=C(C=C4)C6=CC=CC=C6C57C8=C(C9=CC=CC=C9C=C8)OC1=C7C=CC2=CC=CC=C21)C

DOS

IR

Vibrations