Geometry & MOs

Info

ID:	271549
PubChem CID:	103683235
Reduced:	NSO4C11H21 (1)
Stoich.:	ABC4D11E21 (1)
Weight, g/mol:	292.092003
ΔH_f, kcal/mol:	-189.91
Dipole, Da:	5.24
IP(EA), eV:	-9.49(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCCCOC(=O)CN1CCCS(=O)(=O)CC1

DOS

IR

Vibrations