Geometry & MOs

Info

ID:	308463
PubChem CID:	125333174
Reduced:	NO4C25H31 (1)
Stoich.:	AB4C25D31 (1)
Weight, g/mol:	409.225308
ΔH_f, kcal/mol:	-147.56
Dipole, Da:	1.79
IP(EA), eV:	-9.22(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-oxolan-2-yl]methyl (2R,6R)-6-(4-tert-butylphenyl)-3-methyl-4-oxo-2,5,6,7-tetrahydroindole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C(=N[C@@H]1C(=O)OC[C@@H]3CCCO3)C[C@H](CC2=O)C4=CC=C(C=C4)C(C)(C)C

DOS

IR

Vibrations