Geometry & MOs

Info

ID:	353223
PubChem CID:	127284403
Reduced:	SN3O5C17H23 (1)
Stoich.:	AB3C5D17E23 (1)
Weight, g/mol:	371.19574
ΔH_f, kcal/mol:	-195.89
Dipole, Da:	8.26
IP(EA), eV:	-9.31(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[3-(3,5-dimethylpyrazol-1-yl)butanoyl]piperazine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

C1CCC(C1)S(=O)(=O)CC(=O)N2CCN(CC2)C(=O)C3=CNC(=O)C=C3

DOS

IR

Vibrations