Geometry & MOs

Info

ID:	421414
PubChem CID:	135115946
Reduced:	S2N3O5C15H19 (1)
Stoich.:	A2B3C5D15E19 (1)
Weight, g/mol:	330.180424
ΔH_f, kcal/mol:	-174.66
Dipole, Da:	4.3
IP(EA), eV:	-9.15(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[4-(4-pyrazol-1-ylbutanoyl)piperazin-1-yl]pyridazin-3-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C2=CC(=C(S2)C)S(=O)(=O)N3CC[C@H]([C@H](C3)C(=O)O)O

DOS

IR

Vibrations