Geometry & MOs

Info

ID:	303854
PubChem CID:	124490281
Reduced:	BrN2H17C23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	347.142248
ΔH_f, kcal/mol:	123.25
Dipole, Da:	3.12
IP(EA), eV:	-8.79(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5R)-5-benzylimidazo[1,2-b]isoindol-5-yl]benzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations