Geometry & MOs

Info

ID:	395992
PubChem CID:	135027166
Reduced:	OF3N4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	291.096754
ΔH_f, kcal/mol:	-112.96
Dipole, Da:	4.27
IP(EA), eV:	-9.54(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(azidomethyl)-7-methoxy-1,3-dimethyl-5-nitroindol-2-one

Drug info:

PubChemData

Smile

C[C@]1(C2=C(C=CC(=C2)C(F)(F)F)N(C1=O)C)CN=[N+]=[N-]

DOS

IR

Vibrations