Geometry & MOs

Info

ID:	132093
PubChem CID:	51304725
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	336.125612
ΔH_f, kcal/mol:	-139.51
Dipole, Da:	3.33
IP(EA), eV:	-8.84(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(1,3-dimethylthieno[2,3-c]pyrazole-5-carbonyl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC3=C(C=C2)OCC3

DOS

IR

Vibrations