Geometry & MOs

Info

ID:	167158
PubChem CID:	74789106
Reduced:	BN3O4C13H18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	290.143787
ΔH_f, kcal/mol:	-129.49
Dipole, Da:	7.29
IP(EA), eV:	-8.9(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C=C/C2=NC(=C(C=C2)N)[N+](=O)[O-]

DOS

IR

Vibrations