Geometry & MOs

Info

ID:	352306
PubChem CID:	127283390
Reduced:	N2O3C13H22 (1)
Stoich.:	A2B3C13D22 (1)
Weight, g/mol:	344.159689
ΔH_f, kcal/mol:	-152.23
Dipole, Da:	3.31
IP(EA), eV:	-9.64(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-methyl-4-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC(C)C1C(=O)NCCN1C(=O)C2CCOCC2

DOS

IR

Vibrations