Geometry & MOs

Info

ID:	439225
PubChem CID:	135228992
Reduced:	O2N3C22H35 (1)
Stoich.:	A2B3C22D35 (1)
Weight, g/mol:	303.236228
ΔH_f, kcal/mol:	-51.32
Dipole, Da:	3.34
IP(EA), eV:	-7.86(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-fluoro-2-methyl-3-[2-(4-methylcyclohexyl)ethyl]-1,3-dihydroisoindole

Drug info:

PubChemData

Smile

C/C=C\C1=C(C2=CNCN2C1CC(C3CCN(CC3)C(CC4CC4)O)O)C

DOS

IR

Vibrations