Geometry & MOs

Info

ID:	403292
PubChem CID:	135059589
Reduced:	O3C16H20 (1)
Stoich.:	A3B16C20 (1)
Weight, g/mol:	339.06414
ΔH_f, kcal/mol:	-123.25
Dipole, Da:	1.92
IP(EA), eV:	-8.86(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7'-bromo-4,4,4',5,5-pentamethylspiro[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

COC(=O)[C@H]1[C@@H](OC2=CC=CC=C12)C3CCCCC3

DOS

IR

Vibrations