Geometry & MOs

Info

ID:	341242
PubChem CID:	127263677
Reduced:	ClON2C6H15 (1)
Stoich.:	ABC2D6E15 (1)
Weight, g/mol:	290.132554
ΔH_f, kcal/mol:	-93.59
Dipole, Da:	3.1
IP(EA), eV:	-9.2(1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-formyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Drug info:

PubChemData

Smile

C[C@@H]([C@@H]1CNCCN1)O.Cl

DOS

IR

Vibrations