Geometry & MOs

Info

ID:

447078

PubChem CID:

135280093

Reduced:

N5H27C43 (1)

Stoich.:

A5B27C43 (1)

Weight, g/mol:

768.350449

ΔHf, kcal/mol:

238.54

Dipole, Da:

2.67

IP(EA), eV:

 -7.37(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(16,16-dimethyl-1-azahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2,4,6,8,10,12(24),13,15(23),17,19,21-undecaen-13-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC4=C(C=C3)N5C6=CC=CC=C6N(C7=C5C8=C(C=CC=C48)C=C7)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations