Geometry & MOs

Info

ID:	392669
PubChem CID:	135017562
Reduced:	ClNPdO2C20H22 (1)
Stoich.:	ABCD2E20F22 (1)
Weight, g/mol:	309.172879
ΔH_f, kcal/mol:	-6.28
Dipole, Da:	11.29
IP(EA), eV:	-6.79(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-methyl-2-phenyl-2,3-dihydroindole-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1[C-](N(C2=CC=CC=C12)C(=O)OC(C)(C)C)C3=CC=CC=C3.Cl[Pd+]

DOS

IR

Vibrations