Geometry & MOs

Info

ID:	324123
PubChem CID:	126676964
Reduced:	N3O4C30H41 (1)
Stoich.:	A3B4C30D41 (1)
Weight, g/mol:	384.184921
ΔH_f, kcal/mol:	-157.84
Dipole, Da:	1.5
IP(EA), eV:	-9.03(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(3S,4R)-4-[4-(2-fluoroethoxy)phenyl]piperidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one

Drug info:

PubChemData

Smile

CCCCCNC(=O)C1=CC=C(C=C1)OC[C@@H]2CNCC[C@H]2C3=CC=C(C=C3)OCCN4CCCC4=O

DOS

IR

Vibrations