Geometry & MOs

Info

ID:	198093
PubChem CID:	79045529
Reduced:	FNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	263.168543
ΔH_f, kcal/mol:	-116.01
Dipole, Da:	1.21
IP(EA), eV:	-8.82(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-one

Drug info:

PubChemData

Smile

CC(C)(C(=O)C1=CC(=C(C=C1)OC)F)N2CCCCC2

DOS

IR

Vibrations