Geometry & MOs

Info

ID:	253170
PubChem CID:	103116494
Reduced:	N3O3C11H17 (1)
Stoich.:	A3B3C11D17 (1)
Weight, g/mol:	251.036462
ΔH_f, kcal/mol:	-107.85
Dipole, Da:	8.6
IP(EA), eV:	-9.94(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)NC(=O)C1=NN(C=C1)C

DOS

IR

Vibrations