Geometry & MOs

Info

ID:	126385
PubChem CID:	50962949
Reduced:	ON4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	347.103669
ΔH_f, kcal/mol:	49.41
Dipole, Da:	5.37
IP(EA), eV:	-9.02(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenoxy)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CC2=CC(=NN2C1)C(=O)N3CC=CC3)CC4=CC=CC=C4

DOS

IR

Vibrations