Geometry & MOs

Info

ID:	224051
PubChem CID:	85337545
Reduced:	FN5O5C27H28 (1)
Stoich.:	AB5C5D27E28 (1)
Weight, g/mol:	519.263425
ΔH_f, kcal/mol:	-161.09
Dipole, Da:	9.23
IP(EA), eV:	-8.9(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CC(NN1)C2=C3C(=C(C=C2)F)C(=CN3)C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations