Geometry & MOs

Info

ID:	207270
PubChem CID:	80368806
Reduced:	O3N5C12H13 (1)
Stoich.:	A3B5C12D13 (1)
Weight, g/mol:	280.063011
ΔH_f, kcal/mol:	-48.68
Dipole, Da:	10.92
IP(EA), eV:	-9.58(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-methylthiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NN1)C(=O)NC2=CN=CC(=C2)C(=O)O

DOS

IR

Vibrations