Geometry & MOs

Info

ID:	191380
PubChem CID:	78140502
Reduced:	N2F3O6C17H23 (1)
Stoich.:	A2B3C6D17E23 (1)
Weight, g/mol:	351.02185
ΔH_f, kcal/mol:	-351.63
Dipole, Da:	5.96
IP(EA), eV:	-9.65(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-azido-6-bromo-3-oxo-1H-indene-2-carboxylate

Drug info:

PubChemData

Smile

COCCCCC(=NOCCN)C1=CC=C(C=C1)C(F)(F)F.C(=O)(C(=O)O)O

DOS

IR

Vibrations