Geometry & MOs

Info

ID:	333489
PubChem CID:	127252041
Reduced:	FO2N4H19C21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	364.164774
ΔH_f, kcal/mol:	-33.72
Dipole, Da:	5.32
IP(EA), eV:	-9.43(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[6-(1-methylpyrazol-4-yl)pyridin-3-yl]piperidine-1-carbonyl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CN=C(C=C2)C3=CC(=CC=C3)F)C(=O)C4=NNC(=O)C=C4

DOS

IR

Vibrations