Geometry & MOs

Info

ID:

428670

PubChem CID:

135167921

Reduced:

N3H53C80 (1)

Stoich.:

A3B53C80 (1)

Weight, g/mol:

1103.423949

ΔHf, kcal/mol:

345.32

Dipole, Da:

2.19

IP(EA), eV:

 -7.88(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(7,7-diphenylbenzo[c]fluoren-5-yl)-N-[4-(9-phenylcarbazol-3-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]-2'-amine

Drug info:

PubChemData

Smile

CC1=C(N(C2=CC=CC=C12)C3=CC=CC=C3)/C=C(\C)/C4=CC=C(C=C4)N(C5=CC6=C(C=C5)C7=CC=CC=C7C68C9=CC=CC=C9C1=CC=CC=C81)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations