Geometry & MOs

Info

ID:	245841
PubChem CID:	103024159
Reduced:	ON3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	251.199762
ΔH_f, kcal/mol:	26.28
Dipole, Da:	3.08
IP(EA), eV:	-9.49(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CCC(=O)C2=CC3=C(CNC3)C=C2

DOS

IR

Vibrations