Geometry & MOs

Info

ID:	410165
PubChem CID:	135082956
Reduced:	BC10H19 (1)
Stoich.:	AB10C19 (1)
Weight, g/mol:	294.175087
ΔH_f, kcal/mol:	-33.21
Dipole, Da:	0.46
IP(EA), eV:	-9.31(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,9aR)-2-[(Z)-but-2-enyl]-5,8-diethyl-3a,6,7,9a-tetrahydro-[1,3,2]dioxaborolo[4,5-f][1,4]diazocine-4,9-dione

Drug info:

PubChemData

Smile

B1([C@@H](CC[C@H]1C)C)C/C=C\C

DOS

IR

Vibrations