Geometry & MOs

Info

ID:	409685
PubChem CID:	135082468
Reduced:	BO4C15H23 (1)
Stoich.:	AB4C15D23 (1)
Weight, g/mol:	316.18459
ΔH_f, kcal/mol:	-226.7
Dipole, Da:	2.18
IP(EA), eV:	-8.56(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6R)-4-[(4-methoxyphenoxy)methyl]-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)COCC2=CC=C(C=C2)OC

DOS

IR

Vibrations