Geometry & MOs

Info

ID:	353245
PubChem CID:	127284425
Reduced:	ClO3N5C18H20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	371.19574
ΔH_f, kcal/mol:	-74.33
Dipole, Da:	3.24
IP(EA), eV:	-9.62(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NC=C(C(=N1)C(=O)N2CCN(CC2)C(=O)C3=CNC(=O)C=C3)Cl

DOS

IR

Vibrations