Geometry & MOs

Info

ID:	259794
PubChem CID:	103174599
Reduced:	ClO3N4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	289.073038
ΔH_f, kcal/mol:	19.41
Dipole, Da:	4.58
IP(EA), eV:	-9.93(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-7-(2-ethyl-6-methylpyridin-3-yl)oxy-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=N1)C)OC2=C(C(=NC=N2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations