Geometry & MOs

Info

ID:	274184
PubChem CID:	103807606
Reduced:	ION2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	264.158626
ΔH_f, kcal/mol:	-27.52
Dipole, Da:	3.48
IP(EA), eV:	-8.85(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CCNCC1CCN(CC1)C(=O)C2=CC=CC(=C2I)C

DOS

IR

Vibrations