Geometry & MOs

Info

ID:

439891

PubChem CID:

135229747

Reduced:

NOSH35C57 (1)

Stoich.:

ABCD35E57 (1)

Weight, g/mol:

725.271865

ΔHf, kcal/mol:

212.12

Dipole, Da:

2.19

IP(EA), eV:

 -7.97(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-naphthalen-1-yl-N-(4-phenylphenyl)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'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC4=C(C=C3)C5=CC=CC=C5C46C7=C(C8=CC=CC=C8C=C7)OC9=C6C=CC1=CC=CC=C19)C1=CC=CC2=C1SC1=CC=CC=C21

DOS

IR

Vibrations