Geometry & MOs

Info

ID:	307654
PubChem CID:	125307925
Reduced:	OSN4C8H8 (1)
Stoich.:	ABC4D8E8 (1)
Weight, g/mol:	236.061949
ΔH_f, kcal/mol:	50.1
Dipole, Da:	3.56
IP(EA), eV:	-9.44(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(thiophen-2-ylmethyl)-3H-pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C=C1CS[C@H]2N1C3=C(CN=N3)C(=O)N2

DOS

IR

Vibrations