Geometry & MOs

Info

ID:	222305
PubChem CID:	85296527
Reduced:	NO5C19H19 (1)
Stoich.:	AB5C19D19 (1)
Weight, g/mol:	341.98781
ΔH_f, kcal/mol:	-164.71
Dipole, Da:	4.09
IP(EA), eV:	-9.0(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-bromo-5-phenyl-5H-[1,3,4]oxadiazolo[2,3-b]quinazolin-4-ium-2-one

Drug info:

PubChemData

Smile

COC1=CC2=C(CC(N(C2)C(=O)OCC3=CC=CC=C3)C(=O)O)C=C1

DOS

IR

Vibrations