Geometry & MOs

Info

ID:	330397
PubChem CID:	127247384
Reduced:	ON4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	259.179696
ΔH_f, kcal/mol:	16.27
Dipole, Da:	5.93
IP(EA), eV:	-9.17(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-ethylpyrazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine

Drug info:

PubChemData

Smile

CN1C=CC=C1C(=O)N2CCCC(C2)C3=CC=NN3

DOS

IR

Vibrations