Geometry & MOs

Info

ID:

428956

PubChem CID:

135168541

Reduced:

NH23C36 (2)

Stoich.:

AB23C36 (2)

Weight, g/mol:

928.38175

ΔHf, kcal/mol:

318.18

Dipole, Da:

0.9

IP(EA), eV:

 -8.05(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C4=CC=CC=C42)C(=CC=C3)N(C5=CC=C(C=C5)C6=CC=CC7=CC=CC=C76)C8=CC9=C(C=C8)C1(C2=CC=CC=C2C2=CC=CC=C21)C1=CC=CC2=C1N9C1=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations