Geometry & MOs

Info

ID:	402872
PubChem CID:	135057611
Reduced:	NCl2O2H11C14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	309.130301
ΔH_f, kcal/mol:	-49.05
Dipole, Da:	2.5
IP(EA), eV:	-9.85(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8'-chloro-4,4,4',5,5,7'-hexamethylspiro[1,3-dioxa-2-boranuidacyclopentane-2,2'-3-oxa-5-azonia-2-boranuidabicyclo[4.4.0]deca-1(6),4,7,9-tetraene]

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(C(=C1)Cl)C2=CC=CC=N2)Cl

DOS

IR

Vibrations