Geometry & MOs

Info

ID:	409682
PubChem CID:	135082465
Reduced:	BNC20H32 (1)
Stoich.:	ABC20D32 (1)
Weight, g/mol:	365.229287
ΔH_f, kcal/mol:	-1.05
Dipole, Da:	3.91
IP(EA), eV:	-9.89(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-5-chloro-5-[(4R,5R)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]-4-methylpentanenitrile

Drug info:

PubChemData

Smile

[B-](C#N)(C1CCC2CC1C2(C)C)C3CC4CC(C3C)C4(C)C

DOS

IR

Vibrations