Geometry & MOs

Info

ID:	402100
PubChem CID:	135054346
Reduced:	BO3H37C38 (1)
Stoich.:	AB3C37D38 (1)
Weight, g/mol:	405.148012
ΔH_f, kcal/mol:	-46.19
Dipole, Da:	3.86
IP(EA), eV:	-7.82(-0.69)
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@@H]3[C@@H](CC4=CC=CC=C34)C(=C2C5=CC=CC=C5)C6=CC=C(C=C6)OC)C7=CC=CC=C7

DOS

IR

Vibrations