Geometry & MOs

Info

ID:	330437
PubChem CID:	127247424
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	301.226646
ΔH_f, kcal/mol:	9.82
Dipole, Da:	6.35
IP(EA), eV:	-9.2(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CCC(=O)N2CCCC(C2)C3=CC=NN3

DOS

IR

Vibrations