Geometry & MOs

Info

ID:	362105
PubChem CID:	127305787
Reduced:	SO2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	-44.38
Dipole, Da:	7.54
IP(EA), eV:	-9.3(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrrolidin-1-yl-[1-(1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbonyl)piperidin-3-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)C3=CSC(=N3)C4CC4

DOS

IR

Vibrations