Geometry & MOs

Info

ID:	437362
PubChem CID:	135226171
Reduced:	ClN3O3C17H20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	572.199047
ΔH_f, kcal/mol:	-63.96
Dipole, Da:	5.62
IP(EA), eV:	-8.69(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(3-acetylindazol-1-yl)acetyl]amino]-N-[3-(2-chlorophenyl)-2-fluorophenyl]bicyclo[2.2.2]octane-2-carboxamide

Drug info:

PubChemData

Smile

C/C(=C(/N(C)C)\Cl)/CCC(=O)C1=NN(C2=CC=CC=C21)CC(=O)O

DOS

IR

Vibrations