Geometry & MOs

Info

ID:	444234
PubChem CID:	135261819
Reduced:	NO2F3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	438.19032
ΔH_f, kcal/mol:	-229.24
Dipole, Da:	6.32
IP(EA), eV:	-9.43(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-(6-methoxypyridin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1(CCC2CCNC(C3=C2C1=CC=C3)OC(=O)C(F)(F)F)C

DOS

IR

Vibrations