Geometry & MOs

Info

ID:	299622
PubChem CID:	117688193
Reduced:	F4O4N5C28H31 (1)
Stoich.:	A4B4C5D28E31 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-315.14
Dipole, Da:	9.79
IP(EA), eV:	-9.55(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-(2,6-dihydroxypiperidin-3-yl)-3H-isoindol-1-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C(=NC=N2)C3=C(C=CC(=C3)C(F)(F)F)OCC4CC4)C(=O)N[C@H]5CC[C@@H](C[C@H]5F)NC(=O)[C@H](C)O

DOS

IR

Vibrations