Geometry & MOs

Info

ID:	82483
PubChem CID:	49856087
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	396.221306
ΔH_f, kcal/mol:	-107.48
Dipole, Da:	6.9
IP(EA), eV:	-8.88(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-fluoro-1,3-dihydroisoindol-2-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)C(=O)CN3CCNC(=O)C3

DOS

IR

Vibrations