Geometry & MOs

Info

ID:

446446

PubChem CID:

135275021

Reduced:

F2O2N7H25C29 (1)

Stoich.:

A2B2C7D25E29 (1)

Weight, g/mol:

499.213201

ΔHf, kcal/mol:

-44.25

Dipole, Da:

6.44

IP(EA), eV:

 -8.48(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)N2CCN3C=C(C4=CC(=CC(=C43)C2)C#N)C5=C(C(=O)NC5)C6=CN=C7N6C=CC=C7)(F)F

DOS

IR

Vibrations