Geometry & MOs

Info

ID:	333488
PubChem CID:	127252040
Reduced:	N3O3C25H25 (1)
Stoich.:	A3B3C25D25 (1)
Weight, g/mol:	378.149204
ΔH_f, kcal/mol:	-58.8
Dipole, Da:	4.68
IP(EA), eV:	-8.83(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CN=C(C=C2)C3=CC=C(C=C3)C(=O)N)C(=O)CC4=CC=C(C=C4)O

DOS

IR

Vibrations