Geometry & MOs

Info

ID:

318955

PubChem CID:

126653867

Reduced:

N3O3C23H25 (1)

Stoich.:

A3B3C23D25 (1)

Weight, g/mol:

548.253589

ΔHf, kcal/mol:

-90.82

Dipole, Da:

6.15

IP(EA), eV:

 -8.62(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1-[2-[(3S)-3-[(6-methylpyridin-2-yl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN1C=C(C2=C1C=CC(=C2)C3=CC4=C(CCC4)N=C3)C(=O)N

DOS

IR

Vibrations