Geometry & MOs

Info

ID:	303856
PubChem CID:	124490284
Reduced:	NH10C12 (2)
Stoich.:	AB10C12 (2)
Weight, g/mol:	347.142248
ΔH_f, kcal/mol:	109.8
Dipole, Da:	5.22
IP(EA), eV:	-8.71(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5R)-5-benzylimidazo[1,2-b]isoindol-5-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@]2(C3=CC=CC=C3C4=NC=CN42)CC5=CC=CC=C5

DOS

IR

Vibrations