Geometry & MOs

Info

ID:	396118
PubChem CID:	135027463
Reduced:	NO6C82H135 (1)
Stoich.:	AB6C82D135 (1)
Weight, g/mol:	278.116761
ΔH_f, kcal/mol:	-419.41
Dipole, Da:	3.19
IP(EA), eV:	-9.46(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-azido-1-methyl-3-(2-methylphenyl)indol-2-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@@H]1C[C@]2([C@H]([C@H]([C@@H]([C@H](O2)CC#N)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC(O1)(C)C

DOS

IR

Vibrations