Geometry & MOs

Info

ID:	355454
PubChem CID:	127288517
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	318.205576
ΔH_f, kcal/mol:	-38.5
Dipole, Da:	2.27
IP(EA), eV:	-9.07(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)C3CCCCC3

DOS

IR

Vibrations