Geometry & MOs

Info

ID:	146029
PubChem CID:	53625321
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	298.179361
ΔH_f, kcal/mol:	-53.71
Dipole, Da:	7.22
IP(EA), eV:	-9.18(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1CC(C(=O)O1)N2CCCC2CN3C=CC=N3

DOS

IR

Vibrations