Geometry & MOs

Info

ID:	402098
PubChem CID:	135054342
Reduced:	B2O4C33H42 (1)
Stoich.:	A2B4C33D42 (1)
Weight, g/mol:	711.322714
ΔH_f, kcal/mol:	-295.88
Dipole, Da:	2.59
IP(EA), eV:	-8.29(0.25)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C([C@H]3[C@@H]2CCC3)C4=CC=CC=C4)B5OC(C(O5)(C)C)(C)C)C6=CC=CC=C6

DOS

IR

Vibrations