Geometry & MOs

Info

ID:

184862

PubChem CID:

77221433

Reduced:

FO3N5C30H32 (1)

Stoich.:

AB3C5D30E32 (1)

Weight, g/mol:

550.269239

ΔHf, kcal/mol:

-103.2

Dipole, Da:

4.02

IP(EA), eV:

 -8.63(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3,3-dimethyl-1-[5-[5-(3-methylpyridin-2-yl)pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C=C(N2)C(=O)N3CC4CC3CN4C(=O)C(C(C)(C)C)NC(=O)C5=CC6=C(N5)C(=CC=C6)F

DOS

IR

Vibrations