Geometry & MOs

Info

ID:	167164
PubChem CID:	74789543
Reduced:	BNO4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	279.119737
ΔH_f, kcal/mol:	-216.88
Dipole, Da:	9.21
IP(EA), eV:	-9.73(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-methyl-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C=C/C2=NC=C(C=C2C)C(=O)O

DOS

IR

Vibrations