Geometry & MOs

Info

ID:	395993
PubChem CID:	135027167
Reduced:	O4N5C12H13 (1)
Stoich.:	A4B5C12D13 (1)
Weight, g/mol:	306.132805
ΔH_f, kcal/mol:	9.23
Dipole, Da:	5.87
IP(EA), eV:	-9.25(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(azidomethyl)-4,5,6-trimethoxy-1,3-dimethylindol-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations