Geometry & MOs

Info

ID:	17201
PubChem CID:	487683
Reduced:	O4N5C12H17 (1)
Stoich.:	A4B5C12D17 (1)
Weight, g/mol:	295.128054
ΔH_f, kcal/mol:	-77.96
Dipole, Da:	7.42
IP(EA), eV:	-9.34(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4S,5R)-5-(azidomethyl)-4-hydroxyoxolan-2-yl]-2-ethoxy-5-methylpyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC1=NC(=O)C(=CN1[C@H]2C[C@@H]([C@H](O2)CN=[N+]=[N-])O)C

DOS

IR

Vibrations