Geometry & MOs

Info

ID:	393354
PubChem CID:	135020270
Reduced:	NO3C10H10 (2)
Stoich.:	AB3C10D10 (2)
Weight, g/mol:	419.158017
ΔH_f, kcal/mol:	-169.49
Dipole, Da:	1.45
IP(EA), eV:	-9.04(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trimethyl (4R,7R)-3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-4,7-epoxyisoindole-1,5,6-tricarboxylate

Drug info:

PubChemData

Smile

CN1CC2[C@H]3C(=C([C@H](C2[C@@]14C5=CC=CC=C5NC4=O)O3)C(=O)OC)C(=O)OC

DOS

IR

Vibrations