Geometry & MOs

Info

ID:	396581
PubChem CID:	135028798
Reduced:	NO2C11H17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-65.51
Dipole, Da:	1.36
IP(EA), eV:	-9.17(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-butyl-3-oxo-2H-indole-1-carboxylate

Drug info:

PubChemData

Smile

CC1(O[C@H]2CN3CC[C@@H]3C(=C)[C@@H]2O1)C

DOS

IR

Vibrations