Geometry & MOs

Info

ID:	330421
PubChem CID:	127247408
Reduced:	O2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	289.15904
ΔH_f, kcal/mol:	-1.87
Dipole, Da:	5.88
IP(EA), eV:	-9.54(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=CC(=NO1)C(=O)N2CCCC(C2)C3=CC=NN3

DOS

IR

Vibrations