Geometry & MOs

Info

ID:	400673
PubChem CID:	135048690
Reduced:	BO4C16H25 (1)
Stoich.:	AB4C16D25 (1)
Weight, g/mol:	344.18861
ΔH_f, kcal/mol:	-225.29
Dipole, Da:	1.71
IP(EA), eV:	-9.33(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-1-bromooct-1-enyl]-(2,3-dimethylbutan-2-yl)-propan-2-yloxyborane

Drug info:

PubChemData

Smile

B1([C@H]([C@@H](CO1)OC)C[C@H](C)[C@H](C2=CC=CC=C2)OC)OC

DOS

IR

Vibrations