Geometry & MOs

Info

ID:	143121
PubChem CID:	53150076
Reduced:	N2O3C22H30 (1)
Stoich.:	A2B3C22D30 (1)
Weight, g/mol:	424.216221
ΔH_f, kcal/mol:	-116.85
Dipole, Da:	7.75
IP(EA), eV:	-9.22(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-1-[3-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC=C(C=C2)OCC3CCCN(C3)C(=O)C4CCC4

DOS

IR

Vibrations