Geometry & MOs

Info

ID:	371400
PubChem CID:	127346249
Reduced:	SN4O5C16H26 (1)
Stoich.:	AB4C5D16E26 (1)
Weight, g/mol:	334.169271
ΔH_f, kcal/mol:	-187.46
Dipole, Da:	4.08
IP(EA), eV:	-9.27(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(oxolan-3-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=C(N=CO1)C(=O)N2CCN(CC2)S(=O)(=O)N3CC(OC(C3)C)C

DOS

IR

Vibrations