Geometry & MOs

Info

ID:

446458

PubChem CID:

135275133

Reduced:

FO2N7C31H34 (1)

Stoich.:

AB2C7D31E34 (1)

Weight, g/mol:

499.213201

ΔHf, kcal/mol:

-20.73

Dipole, Da:

4.55

IP(EA), eV:

 -8.29(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2-dihydropyrrol-5-one

Drug info:

PubChemData

Smile

CN1CCC(CC1)CN(C)C(=O)N2CCN3C=C(C4=CC(=CC(=C43)C2)F)C5=C(C(=O)NC5)C6=CN=C7N6C=CC=C7

DOS

IR

Vibrations