Geometry & MOs

Info

ID:	233964
PubChem CID:	92297440
Reduced:	NO3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	197.105193
ΔH_f, kcal/mol:	-136.52
Dipole, Da:	3.07
IP(EA), eV:	-10.09(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aR,4R,7R,7aS)-3,7a-dihydroxy-4,7-dimethyl-3,3a,4,7-tetrahydro-2H-isoindol-1-one

Drug info:

PubChemData

Smile

C[C@@H]1C=C[C@@H]([C@@]2([C@@H]1[C@@H](NC2=O)O)O)C

DOS

IR

Vibrations