Geometry & MOs

Info

ID:	253189
PubChem CID:	103116680
Reduced:	N3O3C10H15 (1)
Stoich.:	A3B3C10D15 (1)
Weight, g/mol:	255.067762
ΔH_f, kcal/mol:	-96.41
Dipole, Da:	11.52
IP(EA), eV:	-9.76(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CN(C)C(=O)C1=NN(C=C1)C)C(=O)O

DOS

IR

Vibrations