Geometry & MOs

Info

ID:

428407

PubChem CID:

135167253

Reduced:

N3H47C73 (1)

Stoich.:

A3B47C73 (1)

Weight, g/mol:

889.345698

ΔHf, kcal/mol:

326.47

Dipole, Da:

2.25

IP(EA), eV:

 -7.7(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-carbazol-9-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=CC=C3N(C4=CC=C(C=C4)C5=CC(=CC=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C9=CC1=C(C=C9)N2C3=CC=CC=C3C3(C4=CC=CC=C4C4=CC=CC=C43)C3=CC=CC1=C32

DOS

IR

Vibrations