Geometry & MOs

Info

ID:	439179
PubChem CID:	135228944
Reduced:	N2C19H24 (1)
Stoich.:	A2B19C24 (1)
Weight, g/mol:	310.168128
ΔH_f, kcal/mol:	33.29
Dipole, Da:	5.17
IP(EA), eV:	-8.75(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-hydroxy-2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-one

Drug info:

PubChemData

Smile

CC(CC1C2=CC=CC=C2C3=CN=CN13)C4CCCCC4

DOS

IR

Vibrations