Geometry & MOs

Info

ID:	365830
PubChem CID:	127318704
Reduced:	O2N3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	193.121512
ΔH_f, kcal/mol:	-19.77
Dipole, Da:	4.14
IP(EA), eV:	-9.38(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CNN=C2)C(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations