Geometry & MOs

Info

ID:	138655
PubChem CID:	52402617
Reduced:	NO4C18H23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	317.162708
ΔH_f, kcal/mol:	-155.66
Dipole, Da:	4.03
IP(EA), eV:	-9.07(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3aR,7aS)-1-(2-phenoxyacetyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)COC3=CC=CC=C3

DOS

IR

Vibrations