Geometry & MOs

Info

ID:	303849
PubChem CID:	124490269
Reduced:	N3H23C24 (1)
Stoich.:	A3B23C24 (1)
Weight, g/mol:	348.163791
ΔH_f, kcal/mol:	104.75
Dipole, Da:	5.02
IP(EA), eV:	-8.91(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-(4-fluorophenyl)-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole

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