Geometry & MOs

Info

ID:	227462
PubChem CID:	87561799
Reduced:	O5C22H30 (1)
Stoich.:	A5B22C30 (1)
Weight, g/mol:	264.111007
ΔH_f, kcal/mol:	-117.18
Dipole, Da:	3.28
IP(EA), eV:	-9.06(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5S)-3-(methoxymethyl)-5-nitro-5-phenylpiperidin-2-one

Drug info:

PubChemData

Smile

C1CC2C(CCC23C4(COCO4)OCO3)C5C1C6CC(CC=C6CC5)C=O

DOS

IR

Vibrations