Geometry & MOs

Info

ID:	242573
PubChem CID:	97857411
Reduced:	OSN2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	300.127406
ΔH_f, kcal/mol:	0.32
Dipole, Da:	2.14
IP(EA), eV:	-8.48(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(1S)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]-2,3-dihydroisoindol-1-one

Drug info:

PubChemData

Smile

C[C@H](C1CCOCC1)NC2=CC=CC(=C2)C3=NC=CS3

DOS

IR

Vibrations