Geometry & MOs

Info

ID:

439614

PubChem CID:

135229400

Reduced:

O2N9C33H35 (1)

Stoich.:

A2B9C33D35 (1)

Weight, g/mol:

791.318815

ΔHf, kcal/mol:

67.36

Dipole, Da:

7.31

IP(EA), eV:

 -8.63(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine

Drug info:

PubChemData

Smile

C1CN(CCC1C(CN2CCC(C2)C(=O)NC3=CC4=C(C=C3)NN=C4C5=CC=NC=C5)O)C6=NC=C(C=C6)C7=NC=CC=N7

DOS

IR

Vibrations