Geometry & MOs

Info

ID:

309919

PubChem CID:

126567112

Reduced:

FO2N6C38H39 (1)

Stoich.:

AB2C6D38E39 (1)

Weight, g/mol:

517.227824

ΔHf, kcal/mol:

47.65

Dipole, Da:

5.55

IP(EA), eV:

 -8.27(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S)-1-(5-chlorothiophen-2-yl)-3-[3-(2-methyl-5-propanoyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC(=CC(=C2)C3=CC=CC4=N/C(=C\5/C6=C(C=CC(=C6)C7=CC(=CN=C7)OCCN8CCCC8)NN5)/C=C43)F

DOS

IR

Vibrations