Geometry & MOs

Info

ID:	260697
PubChem CID:	103200314
Reduced:	BrFO2N4H6C12 (1)
Stoich.:	ABC2D4E6F12 (1)
Weight, g/mol:	349.98147
ΔH_f, kcal/mol:	-0.6
Dipole, Da:	6.67
IP(EA), eV:	-10.25(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=CC=NC3=NC(=NN23)C(=O)O)Br)F

DOS

IR

Vibrations