Geometry & MOs

Info

ID:

446011

PubChem CID:

135271507

Reduced:

FO3N6C28H29 (1)

Stoich.:

AB3C6D28E29 (1)

Weight, g/mol:

540.228517

ΔHf, kcal/mol:

-81.71

Dipole, Da:

6.37

IP(EA), eV:

 -8.94(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-acetyl-4-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-3-imidazo[1,2-a]pyridin-3-yl-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)N2CCN3C=C(C4=CC(=CC(=C43)C2)F)C(=O)CNC(=O)CC5=CN=C6N5C=CC=C6

DOS

IR

Vibrations