Geometry & MOs

Info

ID:	190405
PubChem CID:	77998539
Reduced:	ClN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	542.270462
ΔH_f, kcal/mol:	-80.83
Dipole, Da:	4.06
IP(EA), eV:	-9.99(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[3-[(2,4-difluorophenyl)methoxy]-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxopropan-2-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

C1CNC(C1CC2=CC=CC=C2C#N)C(=O)O.Cl

DOS

IR

Vibrations