Geometry & MOs

Info

ID:	374928
PubChem CID:	131407181
Reduced:	BrNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	291.164188
ΔH_f, kcal/mol:	-84.94
Dipole, Da:	2.31
IP(EA), eV:	-9.68(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxolan-3-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Br)[C@@H](C(C)(C)C(=O)O)N

DOS

IR

Vibrations