Geometry & MOs

Info

ID:	253157
PubChem CID:	103116403
Reduced:	N3O4C10H13 (1)
Stoich.:	A3B4C10D13 (1)
Weight, g/mol:	251.036462
ΔH_f, kcal/mol:	-134.92
Dipole, Da:	8.62
IP(EA), eV:	-9.83(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N2CC(CC2C(=O)O)O

DOS

IR

Vibrations