Geometry & MOs

Info

ID:	78484
PubChem CID:	49693259
Reduced:	FN3O4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	388.159849
ΔH_f, kcal/mol:	-95.12
Dipole, Da:	4.64
IP(EA), eV:	-9.64(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3F

DOS

IR

Vibrations