Geometry & MOs

Info

ID:

446457

PubChem CID:

135275129

Reduced:

O2N7H27C29 (1)

Stoich.:

A2B7C27D29 (1)

Weight, g/mol:

555.275802

ΔHf, kcal/mol:

58.16

Dipole, Da:

8.6

IP(EA), eV:

 -8.51(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-fluoro-3-(4-imidazo[1,2-a]pyridin-3-yl-5-oxo-1,2-dihydropyrrol-3-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)N2CCN3C=C(C4=CC(=CC(=C43)C2)C#N)C5=C(C(=O)NC5)C6=CN=C7N6C=CC=C7

DOS

IR

Vibrations