Geometry & MOs

Info

ID:	17247
PubChem CID:	490383
Reduced:	BrN5O5C10H14 (1)
Stoich.:	AB5C5D10E14 (1)
Weight, g/mol:	363.01783
ΔH_f, kcal/mol:	-152.91
Dipole, Da:	1.61
IP(EA), eV:	-9.38(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-azido-2-bromoethyl)-1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1=C(C(=O)NC(=O)N1COC(CO)CO)C(CBr)N=[N+]=[N-]

DOS

IR

Vibrations