Geometry & MOs

Info

ID:	54513
PubChem CID:	17388800
Reduced:	ON3H7C8 (2)
Stoich.:	AB3C7D8 (2)
Weight, g/mol:	406.00916
ΔH_f, kcal/mol:	121.96
Dipole, Da:	4.03
IP(EA), eV:	-9.12(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9Z,11E)-6,16-dihydroxy-13-oxa-3-oxoniatetracyclo[10.8.0.04,9.014,19]icosa-1(20),3,5,7,9,11,14(19),15,17-nonaen-2-one;perchlorate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=CC(=C2)/C=N/N=C(\C3=NON=C3N)/N

DOS

IR

Vibrations