Geometry & MOs

Info

ID:

441976

PubChem CID:

135247313

Reduced:

N2H16C19 (2)

Stoich.:

A2B16C19 (2)

Weight, g/mol:

778.309647

ΔHf, kcal/mol:

177.35

Dipole, Da:

1.97

IP(EA), eV:

 -8.38(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2'-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-methyl-6,7-dihydronaphthalen-2-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

C1=CC=C(C=C1)/C(=C/CC2=C(C3=CC=CC=C3C4=CC=CC=C42)CN=C(C5=CC=CC=C5)N=C(C6=CC=CC=C6)N)/N

DOS

IR

Vibrations