Geometry & MOs

Info

ID:

448804

PubChem CID:

135293691

Reduced:

NH25C27 (1)

Stoich.:

AB25C27 (1)

Weight, g/mol:

804.325297

ΔHf, kcal/mol:

78.96

Dipole, Da:

0.72

IP(EA), eV:

 -7.92(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1,2-dihydrofluorene-9,13'-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)C3=CC=CCC3)C4=C1C=C(C=C4)NC5=CC=CC=C5)C

DOS

IR

Vibrations