Geometry & MOs

Info

ID:	218382
PubChem CID:	85089253
Reduced:	NOC9H13 (3)
Stoich.:	ABC9D13 (3)
Weight, g/mol:	455.109055
ΔH_f, kcal/mol:	-155.53
Dipole, Da:	5.0
IP(EA), eV:	-8.99(0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3-diacetyloxy-2,4,9-trihydroxy-2-methyl-5,10-dioxo-1,3,4,11-tetrahydrobenzo[b]fluorene-11-diazonium

Drug info:

PubChemData

Smile

C1CNCCC1CCC(=O)NC23CC4CC(C2)CC(C4)(C3)NCC(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations