Geometry & MOs

Info

ID:	17243
PubChem CID:	489892
Reduced:	BrN5O5C12H14 (1)
Stoich.:	AB5C5D12E14 (1)
Weight, g/mol:	387.01783
ΔH_f, kcal/mol:	-144.45
Dipole, Da:	6.96
IP(EA), eV:	-9.69(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]methoxy]ethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCOCN1C=C(N=N1)CN2C=C(C(=O)NC2=O)Br

DOS

IR

Vibrations