Geometry & MOs

Info

ID:	365838
PubChem CID:	127318778
Reduced:	O2N6C17H24 (1)
Stoich.:	A2B6C17D24 (1)
Weight, g/mol:	290.174276
ΔH_f, kcal/mol:	-12.18
Dipole, Da:	3.52
IP(EA), eV:	-9.42(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC(=O)N1CCCCC1C2=CNN=C2)N3C=CC=N3

DOS

IR

Vibrations