Geometry & MOs

Info

ID:	400722
PubChem CID:	135048889
Reduced:	BBrOC23H41 (1)
Stoich.:	ABCD23E41 (1)
Weight, g/mol:	236.124669
ΔH_f, kcal/mol:	-96.11
Dipole, Da:	2.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755007
Charge, e:	-1

Chem-info

IUPAC name:

spiro[1-oxa-3-aza-2-boranuidacyclopentane-2,2'-2-boranuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaene]

Drug info:

PubChemData

Smile

[B-](C#CC1CCCCC1)(/C(=C/CCCC)/Br)(C(C)(C)C(C)C)OC(C)C

DOS

IR

Vibrations