Geometry & MOs

Info

ID:	353206
PubChem CID:	127284386
Reduced:	O3N5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	343.16444
ΔH_f, kcal/mol:	-71.24
Dipole, Da:	3.93
IP(EA), eV:	-8.78(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C=CC=N2)C(=O)N3CCN(CC3)C(=O)C4=CNC(=O)C=C4

DOS

IR

Vibrations