Geometry & MOs

Info

ID:	307524
PubChem CID:	125307347
Reduced:	ON2C10H10 (1)
Stoich.:	AB2C10D10 (1)
Weight, g/mol:	236.09094
ΔH_f, kcal/mol:	55.02
Dipole, Da:	4.15
IP(EA), eV:	-8.61(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(5-methyl-7-oxo-6H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate

Drug info:

PubChemData

Smile

CC(=C1CNC2=CC=CC=C12)N=O

DOS

IR

Vibrations