Geometry & MOs

Info

ID:	138203
PubChem CID:	52327668
Reduced:	BrN2O3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	400.0171
ΔH_f, kcal/mol:	-28.55
Dipole, Da:	6.67
IP(EA), eV:	-9.22(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-1-benzofuran-2-yl)ethyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

Drug info:

PubChemData

Smile

CN1C=C(C=N1)/C=C/C(=O)OCCC2=CC3=C(O2)C=CC(=C3)Br

DOS

IR

Vibrations