Geometry & MOs

Info

ID:	255544
PubChem CID:	103132862
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	197.132826
ΔH_f, kcal/mol:	-123.28
Dipole, Da:	2.26
IP(EA), eV:	-8.35(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine

Drug info:

PubChemData

Smile

CCCNCC1=CC(=C(C=C1)OCC2CCC(O2)C)OC

DOS

IR

Vibrations