Geometry & MOs

Info

ID:	245790
PubChem CID:	103023949
Reduced:	N2O3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	263.199762
ΔH_f, kcal/mol:	-51.53
Dipole, Da:	4.18
IP(EA), eV:	-8.61(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpyrazol-3-yl)-5-piperidin-3-ylhexan-3-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)C2=C(C(=CC=C2)OC)OC

DOS

IR

Vibrations