Geometry & MOs

Info

ID:	247817
PubChem CID:	103075765
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	371.91803
ΔH_f, kcal/mol:	-111.15
Dipole, Da:	5.56
IP(EA), eV:	-8.75(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-bromo-4-chlorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC(C)(CNCC1=CC2=C(C=C1)OCC(=O)N2)OC

DOS

IR

Vibrations