Geometry & MOs

Info

ID:	445218
PubChem CID:	135265099
Reduced:	FON9C26H32 (1)
Stoich.:	ABC9D26E32 (1)
Weight, g/mol:	263.115758
ΔH_f, kcal/mol:	32.94
Dipole, Da:	5.41
IP(EA), eV:	-8.4(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxy-3-oxo-1H-isoindol-2-yl)-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC2=NC(=NC(=C2)C)[C@@H]3CC[C@@H](C3)C(=O)N[C@@H](C)C4=CN=C(C=C4)N(/C=C(\C)/F)N=C

DOS

IR

Vibrations