Geometry & MOs

Info

ID:

428884

PubChem CID:

135168341

Reduced:

NH21C33 (2)

Stoich.:

AB21C33 (2)

Weight, g/mol:

912.350449

ΔHf, kcal/mol:

297.19

Dipole, Da:

0.79

IP(EA), eV:

 -8.02(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-phenanthren-9-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]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]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=C(C=C5)N(C6=CC7=CC=CC=C7C=C6)C8=CC=CC9=C8C1=CC=CC=C1C91C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations