Geometry & MOs

Info

ID:

427785

PubChem CID:

135162846

Reduced:

NH20C30 (2)

Stoich.:

AB20C30 (2)

Weight, g/mol:

902.366099

ΔHf, kcal/mol:

264.97

Dipole, Da:

2.77

IP(EA), eV:

 -7.93(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-naphthalen-2-yl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-19-yl)phenyl]phenanthren-9-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC5=C(C6=CC=CC=C64)C7=C(C8=CC=CC=C85)N(C9=CC=CC=C97)C1=CC=CC=C1)C1=CC=CC=C1C1=CC=CC=C1

DOS

IR

Vibrations