Geometry & MOs

Info

ID:	382610
PubChem CID:	134973873
Reduced:	PO7H15C18 (1)
Stoich.:	AB7C15D18 (1)
Weight, g/mol:	372.94999
ΔH_f, kcal/mol:	-245.21
Dipole, Da:	5.88
IP(EA), eV:	-8.7(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11S,12R)-11,12-dibromo-9-azatricyclo[7.4.2.02,7]pentadeca-2,4,6-trien-8-one

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)P(=O)(C2=CC=CC(=C2O)O)C3=CC=CC(=C3O)O)O)O

DOS

IR

Vibrations