Geometry & MOs

Info

ID:	392935
PubChem CID:	135018575
Reduced:	N2O7H14C18 (1)
Stoich.:	A2B7C14D18 (1)
Weight, g/mol:	371.087926
ΔH_f, kcal/mol:	-185.9
Dipole, Da:	2.8
IP(EA), eV:	-9.64(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1R,2R,4S)-1,2,3,4,5,10-hexahydroxy-2-methyl-9-oxo-3,4-dihydro-1H-benzo[b]fluorene-11-diazonium

Drug info:

PubChemData

Smile

C[C@]1([C@@H](C2=C([C@@H](C1O)O)C3=C(C4=CC=CC(=O)C4=C(C3=C2[N+]#N)O)[O-])O)O

DOS

IR

Vibrations