Geometry & MOs

Info

ID:	68080
PubChem CID:	46507722
Reduced:	ClN2O2H15C18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	239.072848
ΔH_f, kcal/mol:	-4.44
Dipole, Da:	3.17
IP(EA), eV:	-8.73(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-sulfanylidene-1H-pyridazin-3-yl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=O)C3=C(N2)OC4=C(C3)C=C(C=C4)Cl

DOS

IR

Vibrations