Geometry & MOs

Info

ID:	224741
PubChem CID:	85349153
Reduced:	NOC16H19 (1)
Stoich.:	ABC16D19 (1)
Weight, g/mol:	242.090272
ΔH_f, kcal/mol:	17.71
Dipole, Da:	2.13
IP(EA), eV:	-8.76(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyridine-2,6-dione

Drug info:

PubChemData

Smile

C1CC2CCC(=NOCC3=CC=CC=C3)C=C2C1

DOS

IR

Vibrations