Geometry & MOs

Info

ID:

314479

PubChem CID:

126621889

Reduced:

ClO3N5C18H20 (1)

Stoich.:

AB3C5D18E20 (1)

Weight, g/mol:

488.197217

ΔHf, kcal/mol:

-9.04

Dipole, Da:

3.82

IP(EA), eV:

 -9.06(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1CN(C1)CC2=CC3=C(N=C2)OC4=C3N=C(N=C4N5CCOCC5)Cl

DOS

IR

Vibrations