Geometry & MOs

Info

ID:	324122
PubChem CID:	126676963
Reduced:	F2N2O3C27H28 (1)
Stoich.:	A2B2C3D27E28 (1)
Weight, g/mol:	507.309707
ΔH_f, kcal/mol:	-155.83
Dipole, Da:	4.26
IP(EA), eV:	-9.1(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3S,4R)-4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]piperidin-3-yl]methoxy]-N-pentylbenzamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)OC[C@@H]2CNCC[C@H]2C3=CC=C(C=C3)OCC4=CC(=CC(=C4)F)F

DOS

IR

Vibrations