Geometry & MOs

Info

ID:	423107
PubChem CID:	135118951
Reduced:	Cl2N2O3C17H20 (1)
Stoich.:	A2B2C3D17E20 (1)
Weight, g/mol:	329.199094
ΔH_f, kcal/mol:	-125.38
Dipole, Da:	4.27
IP(EA), eV:	-9.39(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-5-phenylpentane-1,5-dione

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C(=O)COC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations