Geometry & MOs

Info

ID:	432558
PubChem CID:	135172691
Reduced:	F2O8C31H38 (1)
Stoich.:	A2B8C31D38 (1)
Weight, g/mol:	464.197904
ΔH_f, kcal/mol:	-386.85
Dipole, Da:	1.81
IP(EA), eV:	-9.18(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCC1=C(C=CC(=C1F)OCCOC(=O)C(=C)CO)C2=CC(=C(C=C2)OCCOC(=O)C(=C)CO)F

DOS

IR

Vibrations