Geometry & MOs

Info

ID:	420592
PubChem CID:	135114145
Reduced:	FN3O3C16H18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	-123.5
Dipole, Da:	3.51
IP(EA), eV:	-9.3(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]phenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=C(C=CC(=C3)O)F

DOS

IR

Vibrations