Geometry & MOs

Info

ID:

314490

PubChem CID:

126621924

Reduced:

NH10C14 (2)

Stoich.:

AB10C14 (2)

Weight, g/mol:

488.197217

ΔHf, kcal/mol:

122.85

Dipole, Da:

2.09

IP(EA), eV:

 -7.96(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(6-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

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=C(C=C4)NC5=CC6=CC=CC=C6C=C5

DOS

IR

Vibrations