Geometry & MOs

Info

ID:

314494

PubChem CID:

126621932

Reduced:

FO3N6H25C27 (1)

Stoich.:

AB3C6D25E27 (1)

Weight, g/mol:

417.123718

ΔHf, kcal/mol:

-10.43

Dipole, Da:

5.4

IP(EA), eV:

 -8.77(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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-hexaene-12-carbaldehyde

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC3=C2OC4=C3C=C(C=N4)CN5C[C@@H]6C[C@H]5CO6)C7=C(C=CC8=C7C=CN8)F

DOS

IR

Vibrations