Geometry & MOs

Info

ID:	273863
PubChem CID:	103805473
Reduced:	ION2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	250.142976
ΔH_f, kcal/mol:	-29.48
Dipole, Da:	5.29
IP(EA), eV:	-8.96(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCCCC2C(C)N)I

DOS

IR

Vibrations