Geometry & MOs

Info

ID:	333431
PubChem CID:	127251983
Reduced:	NOC13H14 (2)
Stoich.:	ABC13D14 (2)
Weight, g/mol:	374.174276
ΔH_f, kcal/mol:	-24.07
Dipole, Da:	3.81
IP(EA), eV:	-8.9(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)N2CCCCC2C3=CN=C(C=C3)CC4=CC=CC=C4

DOS

IR

Vibrations