Geometry & MOs

Info

ID:	446686
PubChem CID:	135276926
Reduced:	ON2C27H30 (1)
Stoich.:	AB2C27D30 (1)
Weight, g/mol:	400.215078
ΔH_f, kcal/mol:	46.05
Dipole, Da:	5.51
IP(EA), eV:	-8.53(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethoxy]methyl]benzaldehyde

Drug info:

PubChemData

Smile

C=CC1=CC=C(C=C1)COC(CC2C3=CC=CC=C3C4=CN=CN24)C5CCCCC5

DOS

IR

Vibrations