Geometry & MOs

Info

ID:	199859
PubChem CID:	79308879
Reduced:	SO2N6C11H12 (1)
Stoich.:	AB2C6D11E12 (1)
Weight, g/mol:	290.112738
ΔH_f, kcal/mol:	60.8
Dipole, Da:	5.57
IP(EA), eV:	-9.71(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1C2=NSC(=N2)N3CC(C3)N4C=C(N=N4)C(=O)O

DOS

IR

Vibrations