Geometry & MOs

Info

ID:	330402
PubChem CID:	127247389
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	273.195346
ΔH_f, kcal/mol:	24.85
Dipole, Da:	3.62
IP(EA), eV:	-9.36(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC(=O)N2CCCC(C2)C3=CC=NN3

DOS

IR

Vibrations