Geometry & MOs

Info

ID:	330318
PubChem CID:	127247305
Reduced:	O2N4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	298.179361
ΔH_f, kcal/mol:	-69.74
Dipole, Da:	3.58
IP(EA), eV:	-9.13(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)CN3CCCC3=O

DOS

IR

Vibrations