Geometry & MOs

Info

ID:

379137

PubChem CID:

134354295

Reduced:

NH10C17 (2)

Stoich.:

AB10C17 (2)

Weight, g/mol:

785.283098

ΔHf, kcal/mol:

153.39

Dipole, Da:

3.45

IP(EA), eV:

 -7.7(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[6-(4-phenylquinazolin-2-yl)naphthalen-2-yl]spiro[3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene-24,9'-fluorene]

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=CC=C6C7=C(C=CC(=C57)C8=C4N=CC=C8)C9=CC=CC=C9N6

DOS

IR

Vibrations