Geometry & MOs

Info

ID:	409794
PubChem CID:	135082579
Reduced:	BO4C26H33 (1)
Stoich.:	AB4C26D33 (1)
Weight, g/mol:	450.257754
ΔH_f, kcal/mol:	-187.58
Dipole, Da:	4.61
IP(EA), eV:	-9.01(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6R)-4-[(1R)-2-[(4-methoxyphenyl)methoxy]-1-phenylmethoxyethyl]-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane

Drug info:

PubChemData

Smile

B1(O[C@@H]2CC3CC([C@@]2(O1)C)C3(C)C)[C@@H](COCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations