Geometry & MOs

Info

ID:	80492
PubChem CID:	49834734
Reduced:	O4C33H66 (1)
Stoich.:	A4B33C66 (1)
Weight, g/mol:	356.140674
ΔH_f, kcal/mol:	-320.58
Dipole, Da:	3.85
IP(EA), eV:	-10.22(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)OCC(CO)O

DOS

IR

Vibrations