Geometry & MOs

Info

ID:	409782
PubChem CID:	135082567
Reduced:	BO3C30H33 (1)
Stoich.:	AB3C30D33 (1)
Weight, g/mol:	441.147232
ΔH_f, kcal/mol:	-113.44
Dipole, Da:	3.08
IP(EA), eV:	-9.11(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

B1(O[C@@H]2CC3CC([C@@]2(O1)C)C3(C)C)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations