Geometry & MOs

Info

ID:	260695
PubChem CID:	103200249
Reduced:	O3C8H10 (1)
Stoich.:	A3B8C10 (1)
Weight, g/mol:	323.93166
ΔH_f, kcal/mol:	-97.67
Dipole, Da:	4.91
IP(EA), eV:	-10.41(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C1)/C=C/C(=O)C(=O)O

DOS

IR

Vibrations