Geometry & MOs

Info

ID:	236840
PubChem CID:	92714962
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	356.153621
ΔH_f, kcal/mol:	-86.49
Dipole, Da:	2.64
IP(EA), eV:	-9.33(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-[(2-fluorophenyl)methyl]-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2[C@H](C3=CC=CC=C3C2=O)C(=O)NCCCOC

DOS

IR

Vibrations