Geometry & MOs

Info

ID:	57506
PubChem CID:	22400337
Reduced:	FN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	293.179107
ΔH_f, kcal/mol:	-133.46
Dipole, Da:	2.27
IP(EA), eV:	-8.89(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CCNC(=O)N1CCCCC1CC2=C(C=CC(=C2)OC)F

DOS

IR

Vibrations