Geometry & MOs

Info

ID:

446450

PubChem CID:

135275057

Reduced:

F3O3N6H25C28 (1)

Stoich.:

A3B3C6D25E28 (1)

Weight, g/mol:

534.199109

ΔHf, kcal/mol:

-149.58

Dipole, Da:

6.79

IP(EA), eV:

 -8.43(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[10-(4,4-difluoropiperidine-1-carbonyl)-6-fluoro-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-1,2-dihydropyrrol-5-one

Drug info:

PubChemData

Smile

C1CN2C=C(C3=CC(=CC(=C32)CN1C(=O)N4CCOCC(C4)(F)F)F)C5=C(CNC5=O)C6=CN=C7N6C=CC=C7

DOS

IR

Vibrations