Geometry & MOs

Info

ID:	365832
PubChem CID:	127318772
Reduced:	ON2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	346.236876
ΔH_f, kcal/mol:	-82.73
Dipole, Da:	3.96
IP(EA), eV:	-9.23(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[3-[2-(1H-pyrazol-4-yl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CC(CC2=O)C(=O)N3CCCCC3C4=CNN=C4

DOS

IR

Vibrations