Geometry & MOs

Info

ID:	303848
PubChem CID:	124490268
Reduced:	N3H23C24 (1)
Stoich.:	A3B23C24 (1)
Weight, g/mol:	353.189198
ΔH_f, kcal/mol:	104.79
Dipole, Da:	4.98
IP(EA), eV:	-8.91(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C[C@@]2(C3=CC=CC=C3C4=NC=CN42)C5=CC=C(C=C5)C#N

DOS

IR

Vibrations