Geometry & MOs

Info

ID:	396301
PubChem CID:	135028032
Reduced:	N3O8C13H19 (1)
Stoich.:	A3B8C13D19 (1)
Weight, g/mol:	269.101171
ΔH_f, kcal/mol:	-304.18
Dipole, Da:	5.12
IP(EA), eV:	-9.86(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,3R)-1-(aminomethyl)-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C(C([C@](O2)(COC)C(=O)O)O)ONC

DOS

IR

Vibrations