Geometry & MOs

Info

ID:	333821
PubChem CID:	127252373
Reduced:	O2N4C11H18 (1)
Stoich.:	A2B4C11D18 (1)
Weight, g/mol:	323.110376
ΔH_f, kcal/mol:	-34.57
Dipole, Da:	4.76
IP(EA), eV:	-9.13(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)sulfonyl-3-methyl-3-(1H-pyrazol-5-yl)piperidine

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2(CCCN2C(=O)CNC)C

DOS

IR

Vibrations