Geometry & MOs

Info

ID:	392670
PubChem CID:	135017563
Reduced:	NO2C20H23 (1)
Stoich.:	AB2C20D23 (1)
Weight, g/mol:	413.06071
ΔH_f, kcal/mol:	-69.34
Dipole, Da:	1.2
IP(EA), eV:	-8.55(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-methanidyl-2-phenyl-3H-indol-2-ide-1-carboxylate;palladium(2+)

Drug info:

PubChemData

Smile

C[C@@H]1C(N(C2=CC=CC=C12)C(=O)OC(C)(C)C)C3=CC=CC=C3

DOS

IR

Vibrations