Geometry & MOs

Info

ID:	403873
PubChem CID:	135062353
Reduced:	BO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	460.27849
ΔH_f, kcal/mol:	-215.79
Dipole, Da:	4.49
IP(EA), eV:	-8.99(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(Z)-1-cyclohexyl-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]benzoate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C(C)(C(C)C2=CC=CC=C2)O

DOS

IR

Vibrations