Geometry & MOs

Info

ID:

446455

PubChem CID:

135275104

Reduced:

NOF2C9H17 (1)

Stoich.:

ABC2D9E17 (1)

Weight, g/mol:

541.260151

ΔHf, kcal/mol:

-179.98

Dipole, Da:

3.37

IP(EA), eV:

-9.01(1.85)

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-(piperidin-4-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-10-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)N1CCC(C(C1)O)(F)F

DOS

IR

Vibrations