Geometry & MOs

Info

ID:

435525

PubChem CID:

135191717

Reduced:

ON2C50H60 (1)

Stoich.:

AB2C50D60 (1)

Weight, g/mol:

541.334465

ΔHf, kcal/mol:

-0.06

Dipole, Da:

0.66

IP(EA), eV:

 -7.85(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17'Z,19'Z)-8',8a,9,9,14',14'-hexamethylspiro[1,4b-dihydrofluorene-2,13'-3-oxa-23-azapentacyclo[14.6.1.02,10.04,9.012,22]tricosa-1,4(9),5,10,12(22),17,19-heptaene]

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(CC3=CC=CC=C23)C4CC5[C@@H](C6C4N(C7C6CCCC7)C8=CC=C(C=C8)N(C9=CC=CCC9)C1=CC=CC=C1)OC1C5CCCC1

DOS

IR

Vibrations