Geometry & MOs

Info

ID:	439183
PubChem CID:	135228948
Reduced:	ON2H18C19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	284.188863
ΔH_f, kcal/mol:	43.61
Dipole, Da:	5.72
IP(EA), eV:	-8.46(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5aR)-5a,9a-dihydro-5H-imidazo[5,1-a]isoindol-5-yl]-1-cyclohexylethanol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)CC2C3=C(CCC=C3)C4=CN=CN24

DOS

IR

Vibrations