Geometry & MOs

Info

ID:	260698
PubChem CID:	103200390
Reduced:	BrFO2N4H8C13 (1)
Stoich.:	ABC2D4E8F13 (1)
Weight, g/mol:	293.997824
ΔH_f, kcal/mol:	1.26
Dipole, Da:	5.78
IP(EA), eV:	-10.21(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=NN2C(=CC=NC2=N1)C3=C(C=CC(=C3)Br)F

DOS

IR

Vibrations