Geometry & MOs

Info

ID:	233963
PubChem CID:	92297439
Reduced:	NOC8H8 (2)
Stoich.:	ABC8D8 (2)
Weight, g/mol:	197.105193
ΔH_f, kcal/mol:	-26.7
Dipole, Da:	7.15
IP(EA), eV:	-9.83(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C2=C(CC(=O)N=C2C)C(=O)N1CC3=CC=CC=C3

DOS

IR

Vibrations