Geometry & MOs

Info

ID:	403293
PubChem CID:	135059591
Reduced:	BBrNO3C14H19 (1)
Stoich.:	ABCD3E14F19 (1)
Weight, g/mol:	338.05631
ΔH_f, kcal/mol:	-209.86
Dipole, Da:	3.92
IP(EA), eV:	-9.16(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

7'-bromo-4,4,4',5,5-pentamethylspiro[1,3-dioxa-2-boranuidacyclopentane-2,2'-3-oxa-5-aza-2-boranuidabicyclo[4.4.0]deca-1(6),4,7,9-tetraene]

Drug info:

PubChemData

Smile

[B-]12(C3=C(C(=CC=C3)Br)[NH+]=C(O1)C)OC(C(O2)(C)C)(C)C

DOS

IR

Vibrations