Geometry & MOs

Info

ID:	227841
PubChem CID:	87562668
Reduced:	FO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	250.095357
ΔH_f, kcal/mol:	-161.98
Dipole, Da:	3.75
IP(EA), eV:	-9.71(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(hydroxymethyl)-5-nitro-5-phenylpiperidin-2-one

Drug info:

PubChemData

Smile

CC(=O)O[C@H](CC1=CC=CC=C1)C(=O)F

DOS

IR

Vibrations