Geometry & MOs

Info

ID:

428742

PubChem CID:

135168056

Reduced:

NH20C31 (2)

Stoich.:

AB20C31 (2)

Weight, g/mol:

960.350449

ΔHf, kcal/mol:

277.25

Dipole, Da:

0.57

IP(EA), eV:

 -7.84(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-phenanthren-9-yl-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[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]-2'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC=CC=C5)C6=CC7=C(C=C6)C8=CC=CC=C8C79C1=CC=CC=C1N1C2=CC=CC=C2C2=C1C9=CC=C2)C1=CC=CC=C1

DOS

IR

Vibrations