Geometry & MOs

Info

ID:	287385
PubChem CID:	104239701
Reduced:	SN2O2C12H14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	292.124549
ΔH_f, kcal/mol:	-33.84
Dipole, Da:	6.01
IP(EA), eV:	-9.09(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-3-cyclopentylthieno[2,3-c]pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=C(C=C(S2)C(=O)O)C(=N1)C3CCCC3

DOS

IR

Vibrations