Geometry & MOs

Info

ID:	446685
PubChem CID:	135276924
Reduced:	O3N4F6C27H32 (1)
Stoich.:	A3B4C6D27E32 (1)
Weight, g/mol:	398.235814
ΔH_f, kcal/mol:	-363.48
Dipole, Da:	4.12
IP(EA), eV:	-9.08(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-cyclohexyl-2-[(4-ethenylphenyl)methoxy]ethyl]-5H-imidazo[5,1-a]isoindole

Drug info:

PubChemData

Smile

C/C=C\C=C/C(=C)[C@@]1(CC[C@@H](CN1)N2C(=NNC2=O)COC)CO[C@H](C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations