Geometry & MOs

Info

ID:

314491

PubChem CID:

126621927

Reduced:

FO3N6H25C26 (1)

Stoich.:

AB3C6D25E26 (1)

Weight, g/mol:

529.223766

ΔHf, kcal/mol:

-10.39

Dipole, Da:

4.42

IP(EA), eV:

 -8.75(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-ethyl-4-[[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]piperazin-2-one

Drug info:

PubChemData

Smile

COC1CN(C1)CC2=CC3=C(N=C2)OC4=C3N=C(N=C4N5CCOCC5)C6=C7C=CNC7=CC(=C6)F

DOS

IR

Vibrations