Geometry & MOs

Info

ID:	303850
PubChem CID:	124490270
Reduced:	FON2H21C22 (1)
Stoich.:	ABC2D21E22 (1)
Weight, g/mol:	364.134241
ΔH_f, kcal/mol:	-5.92
Dipole, Da:	3.28
IP(EA), eV:	-8.91(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-(4-chlorophenyl)-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole

Drug info:

PubChemData

Smile

C1COCCC1C[C@@]2(C3=CC=CC=C3C4=NC=CN42)C5=CC=C(C=C5)F

DOS

IR

Vibrations