Geometry & MOs

Info

ID:	381103
PubChem CID:	134971746
Reduced:	O3N4H12C13 (1)
Stoich.:	A3B4C12D13 (1)
Weight, g/mol:	273.098765
ΔH_f, kcal/mol:	74.98
Dipole, Da:	8.21
IP(EA), eV:	-10.27(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5S,7S)-7-benzylidyneazaniumyloxy-N-hydroxy-5-methyl-1,4-diazabicyclo[3.2.0]hept-3-en-2-imine oxide

Drug info:

PubChemData

Smile

C[C@@]12N(/C(=[N+](\[O-])/[O-])/C=N1)[C@H](C2)O[N+]#CC3=CC=CC=C3

DOS

IR

Vibrations