Geometry & MOs

Info

ID:	400535
PubChem CID:	135048263
Reduced:	BLiC20H32 (1)
Stoich.:	ABC20D32 (1)
Weight, g/mol:	351.213637
ΔH_f, kcal/mol:	-30.25
Dipole, Da:	6.72
IP(EA), eV:	-8.38(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

[Li+].[B-](CC(C)C)(CC(C)C)(CC(C)C)C#CC1=CC=CC=C1

DOS

IR

Vibrations