Geometry & MOs

Info

ID:	351520
PubChem CID:	127280408
Reduced:	SN3O4C17H29 (1)
Stoich.:	AB3C4D17E29 (1)
Weight, g/mol:	399.238273
ΔH_f, kcal/mol:	-187.42
Dipole, Da:	2.32
IP(EA), eV:	-9.13(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrrolidin-1-yl-1-[4-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)S(=O)(=O)CC(=O)N2CCN(CC2)C(=O)CN3CCCC3

DOS

IR

Vibrations