Geometry & MOs

Info

ID:	15819
PubChem CID:	452224
Reduced:	N5O5C9H13 (1)
Stoich.:	A5B5C9D13 (1)
Weight, g/mol:	271.091669
ΔH_f, kcal/mol:	-136.22
Dipole, Da:	5.25
IP(EA), eV:	-10.17(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1-azido-3-hydroxypropan-2-yl)oxy-2-hydroxyethyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CN(C(=O)NC1=O)C(CO)OC(CN=[N+]=[N-])CO

DOS

IR

Vibrations