Geometry & MOs

Info

ID:

428886

PubChem CID:

135168344

Reduced:

N2H48C71 (1)

Stoich.:

A2B48C71 (1)

Weight, g/mol:

1053.408299

ΔHf, kcal/mol:

295.21

Dipole, Da:

1.57

IP(EA), eV:

 -7.99(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5(C6=CC=CC=C6C7=CC=CC=C75)C8=CC=CC=C8)C9=CC=CC1=C9C2=CC=CC=C2C11C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C

DOS

IR

Vibrations