Geometry & MOs

Info

ID:	167163
PubChem CID:	74789511
Reduced:	O2F3C9H13 (1)
Stoich.:	A2B3C9D13 (1)
Weight, g/mol:	289.148538
ΔH_f, kcal/mol:	-275.06
Dipole, Da:	6.61
IP(EA), eV:	-10.99(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCC(CC1)C(=O)O)C(F)(F)F

DOS

IR

Vibrations