Geometry & MOs

Info

ID:	303858
PubChem CID:	124490288
Reduced:	BrN3H16C24 (1)
Stoich.:	AB3C16D24 (1)
Weight, g/mol:	425.05276
ΔH_f, kcal/mol:	155.01
Dipole, Da:	6.61
IP(EA), eV:	-8.91(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(5R)-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)Br)C#N

DOS

IR

Vibrations