Geometry & MOs

Info

ID:

447089

PubChem CID:

135280185

Reduced:

BrN2H19C31 (1)

Stoich.:

AB2C19D31 (1)

Weight, g/mol:

848.319149

ΔHf, kcal/mol:

142.97

Dipole, Da:

4.71

IP(EA), eV:

 -7.74(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(1-azahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8,10,12(23),13,15(22),16(21),17,19-undecaen-18-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C4C(=C2)C=CC=C4N(C5=C3N=CC=C5)C6=CC=CC7=C6C(=CC=C7)Br

DOS

IR

Vibrations