Geometry & MOs

Info

ID:	439056
PubChem CID:	135228819
Reduced:	N4O5C28H32 (1)
Stoich.:	A4B5C28D32 (1)
Weight, g/mol:	312.163791
ΔH_f, kcal/mol:	-132.43
Dipole, Da:	6.79
IP(EA), eV:	-8.67(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-(4-methylcyclohexyl)ethanone

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)OC)OC)C4=CN=C(N=C4)N5CCOCC5

DOS

IR

Vibrations