Geometry & MOs

Info

ID:	242570
PubChem CID:	97857407
Reduced:	FN2O4C16H17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	296.152478
ΔH_f, kcal/mol:	-169.76
Dipole, Da:	5.31
IP(EA), eV:	-9.59(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(1R)-1-(4-methoxyphenyl)propyl]amino]-2,3-dihydroisoindol-1-one

Drug info:

PubChemData

Smile

C[C@H]([C@H](C1=CC=C(C=C1)F)O)NC(=O)CNC(=O)C2=CC=CO2

DOS

IR

Vibrations