Geometry & MOs

Info

ID:	444225
PubChem CID:	135261792
Reduced:	F3O3C5H7 (1)
Stoich.:	A3B3C5D7 (1)
Weight, g/mol:	454.22162
ΔH_f, kcal/mol:	-282.97
Dipole, Da:	3.29
IP(EA), eV:	-10.93(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-4-methylidene-1-oxo-3H-isoquinolin-6-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C=C(CF)C(F)F.C(=O)(O)O

DOS

IR

Vibrations