Geometry & MOs

Info

ID:	409793
PubChem CID:	135082578
Reduced:	BClO2C24H42 (1)
Stoich.:	ABC2D24E42 (1)
Weight, g/mol:	420.24719
ΔH_f, kcal/mol:	-232.16
Dipole, Da:	3.34
IP(EA), eV:	-9.54(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6R)-4-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane

Drug info:

PubChemData

Smile

B1(O[C@@H]([C@H](O1)C2CCCCC2)C3CCCCC3)[C@@H]([C@H](C)C[C@H](C)C(=C)CC)Cl

DOS

IR

Vibrations