Geometry & MOs

Info

ID:	303852
PubChem CID:	124490274
Reduced:	BrN3H16C22 (1)
Stoich.:	AB3C16D22 (1)
Weight, g/mol:	401.05276
ΔH_f, kcal/mol:	125.24
Dipole, Da:	5.66
IP(EA), eV:	-8.98(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-benzyl-5-(5-bromopyridin-2-yl)imidazo[2,1-a]isoindole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@]2(C3=CC=CC=C3C4=NC=CN42)C5=CN=C(C=C5)Br

DOS

IR

Vibrations