Geometry & MOs

Info

ID:	353217
PubChem CID:	127284397
Reduced:	N4O4C17H22 (1)
Stoich.:	A4B4C17D22 (1)
Weight, g/mol:	329.148789
ΔH_f, kcal/mol:	-158.28
Dipole, Da:	4.59
IP(EA), eV:	-9.32(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(2-pyrazol-1-ylpropanoyl)piperazine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

C1CCN(C(=O)C1)CC(=O)N2CCN(CC2)C(=O)C3=CNC(=O)C=C3

DOS

IR

Vibrations