Geometry & MOs

Info

ID:	303847
PubChem CID:	124490260
Reduced:	O6C19H24 (1)
Stoich.:	A6B19C24 (1)
Weight, g/mol:	353.189198
ΔH_f, kcal/mol:	-240.45
Dipole, Da:	7.21
IP(EA), eV:	-8.58(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=C(C=CC(=C2)C[C@H](CO)O)O)C[C@H](CO)O

DOS

IR

Vibrations