Geometry & MOs

Info

ID:

439787

PubChem CID:

135229607

Reduced:

NOSH35C57 (1)

Stoich.:

ABCD35E57 (1)

Weight, g/mol:

856.345364

ΔHf, kcal/mol:

210.93

Dipole, Da:

1.57

IP(EA), eV:

 -8.01(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(20-methylspiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17(22),18-nonaene-13,9'-fluorene]-2'-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC4=C(C=C3)SC5=CC=CC=C54)C6=CC7=C(C=C6)C8=CC=CC=C8C79C1=C(C2=CC=CC=C2C=C1)OC1=C9C=CC2=CC=CC=C21

DOS

IR

Vibrations