Geometry & MOs

Info

ID:

446451

PubChem CID:

135275073

Reduced:

O2F3N6H25C28 (1)

Stoich.:

A2B3C6D25E28 (1)

Weight, g/mol:

541.260151

ΔHf, kcal/mol:

-128.48

Dipole, Da:

4.63

IP(EA), eV:

 -8.36(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1(F)F)C(=O)N2CCN3C=C(C4=CC(=CC(=C43)C2)F)C5=C(CNC5=O)C6=CN=C7N6C=CC=C7

DOS

IR

Vibrations