Geometry & MOs

Info

ID:	303851
PubChem CID:	124490272
Reduced:	ClON2H21C22 (1)
Stoich.:	ABC2D21E22 (1)
Weight, g/mol:	401.05276
ΔH_f, kcal/mol:	32.13
Dipole, Da:	3.21
IP(EA), eV:	-8.92(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-benzyl-5-(6-bromopyridin-3-yl)imidazo[2,1-a]isoindole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations