Geometry & MOs

Info

ID:	432636
PubChem CID:	135172772
Reduced:	F3O8C31H43 (1)
Stoich.:	A3B8C31D43 (1)
Weight, g/mol:	455.232125
ΔH_f, kcal/mol:	-506.98
Dipole, Da:	3.3
IP(EA), eV:	-8.92(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-oxoethyl]-methylamino]benzonitrile

Drug info:

PubChemData

Smile

C=C(CO)C(=O)OCCOC1=CC(=CC(=C1)C2CCC(CC2)CCCCCCC(F)(F)F)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations