Geometry & MOs

Info

ID:	368884
PubChem CID:	127330854
Reduced:	S2O3N4C15H24 (1)
Stoich.:	A2B3C4D15E24 (1)
Weight, g/mol:	331.146681
ΔH_f, kcal/mol:	-109.61
Dipole, Da:	4.2
IP(EA), eV:	-8.62(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC(=CS2)CCNC(=O)CN3CCS(=O)(=O)CC3

DOS

IR

Vibrations