Geometry & MOs

Info

ID:	303857
PubChem CID:	124490287
Reduced:	N3H17C24 (1)
Stoich.:	A3B17C24 (1)
Weight, g/mol:	425.05276
ΔH_f, kcal/mol:	153.43
Dipole, Da:	4.47
IP(EA), eV:	-8.88(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(5S)-5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@]2(C3=CC=CC=C3C4=NC=CN42)C5=CC=C(C=C5)C#N

DOS

IR

Vibrations