Geometry & MOs

Info

ID:

439687

PubChem CID:

135229489

Reduced:

OS2N7C29H33 (1)

Stoich.:

AB2C7D29E33 (1)

Weight, g/mol:

791.318815

ΔHf, kcal/mol:

129.26

Dipole, Da:

3.24

IP(EA), eV:

 -8.45(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-3-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

CC1=NC=CC(=C1)C2=NNC3=C2C=C(C=C3)NC4C(O4)[C@@H]5CCN(C5)CC(=S)C6CCN(CC6)C7=NC=CS7

DOS

IR

Vibrations