Geometry & MOs

Info

ID:

441979

PubChem CID:

135247354

Reduced:

N3H25C33 (1)

Stoich.:

A3B25C33 (1)

Weight, g/mol:

814.309647

ΔHf, kcal/mol:

164.78

Dipole, Da:

1.64

IP(EA), eV:

 -8.37(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2'-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,7-dihydrophenanthren-9-yl]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]

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C2=C(C3=CC=CC=C3C=C2)C4=NC(=NC(=C4)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations