Geometry & MOs

Info

ID:	400634
PubChem CID:	135048559
Reduced:	BSC16H30 (1)
Stoich.:	ABC16D30 (1)
Weight, g/mol:	343.268259
ΔH_f, kcal/mol:	-16.18
Dipole, Da:	0.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754483
Charge, e:	0

Chem-info

IUPAC name:

benzyl 5-(2,3-dimethylbutan-2-yl)-1,5-azaboronane-1-carboxylate

Drug info:

PubChemData

Smile

[B-](CCCC)(CCCC)(CCCC)C1=CC=CS1

DOS

IR

Vibrations