Geometry & MOs

Info

ID:	353234
PubChem CID:	127284414
Reduced:	NOC5H7 (4)
Stoich.:	ABC5D7 (4)
Weight, g/mol:	329.148789
ΔH_f, kcal/mol:	-169.94
Dipole, Da:	4.23
IP(EA), eV:	-9.28(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCCC1C(=O)N2CCN(CC2)C(=O)C3=CNC(=O)C=C3

DOS

IR

Vibrations