Geometry & MOs

Info

ID:

429142

PubChem CID:

135168930

Reduced:

O3N7C27H35 (1)

Stoich.:

A3B7C27D35 (1)

Weight, g/mol:

912.350449

ΔHf, kcal/mol:

-49.4

Dipole, Da:

4.97

IP(EA), eV:

 -8.95(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-2-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

CCN(C1=NC=CC=N1)C(=O)[C@@H]2[C@H](C(=O)N2C(=O)N[C@@H](C3CCCCC3)C4CC4)CC5=CC(=NC=C5)N

DOS

IR

Vibrations