Geometry & MOs

Info

ID:	432580
PubChem CID:	135172714
Reduced:	FN4O6C25H37 (1)
Stoich.:	AB4C6D25E37 (1)
Weight, g/mol:	482.188482
ΔH_f, kcal/mol:	-280.2
Dipole, Da:	3.29
IP(EA), eV:	-9.14(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-fluoro-N-methylanilino)-1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCC[C@@H]1[C@H](CCCOC2=CC=C(C[C@H](NC1=O)C(=O)NCC(=O)NCCCF)C=C2)C(=O)NO

DOS

IR

Vibrations