Geometry & MOs

Info

ID:	254043
PubChem CID:	103122378
Reduced:	ClON3C10H14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	241.09819
ΔH_f, kcal/mol:	-20.01
Dipole, Da:	7.76
IP(EA), eV:	-9.41(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N2CCCC(C2)Cl

DOS

IR

Vibrations