Geometry & MOs

Info

ID:	400670
PubChem CID:	135048686
Reduced:	BNOC13H26 (1)
Stoich.:	ABCD13E26 (1)
Weight, g/mol:	349.184924
ΔH_f, kcal/mol:	-10.86
Dipole, Da:	2.0
IP(EA), eV:	-7.74(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-3,5-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole

Drug info:

PubChemData

Smile

[B][C@@H](CCC)[C@H](CCCC)N1CCOCC1

DOS

IR

Vibrations