Geometry & MOs

Info

ID:	318274
PubChem CID:	126650183
Reduced:	ClFO3N4H24C25 (1)
Stoich.:	ABC3D4E24F25 (1)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	-67.42
Dipole, Da:	2.8
IP(EA), eV:	-9.26(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)C(=O)N(C)CCOC)F)OCC3=C4C=CN=CC4=NN3

DOS

IR

Vibrations