Geometry & MOs

Info

ID:	260708
PubChem CID:	103200972
Reduced:	ClO2N4C10H11 (1)
Stoich.:	AB2C4D10E11 (1)
Weight, g/mol:	272.09094
ΔH_f, kcal/mol:	-25.08
Dipole, Da:	3.21
IP(EA), eV:	-9.78(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-(2,5-dimethylfuran-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC(=NN12)CC(=O)OC)C)Cl

DOS

IR

Vibrations