Geometry & MOs

Info

ID:

428451

PubChem CID:

135167367

Reduced:

N3H43C67 (1)

Stoich.:

A3B43C67 (1)

Weight, g/mol:

965.376999

ΔHf, kcal/mol:

306.42

Dipole, Da:

2.56

IP(EA), eV:

 -7.95(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(3-phenylphenyl)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]-3'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=CC=C3N(C4=CC=C(C=C4)N5C6=CC=CC=C6C7=CC=CC=C75)C8=CC9=C(C=C8)C1(C2=CC=CC=C29)C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations