Geometry & MOs

Info

ID:	260053
PubChem CID:	103179437
Reduced:	BrClNO2C13H19 (1)
Stoich.:	ABCD2E13F19 (1)
Weight, g/mol:	298.158769
ΔH_f, kcal/mol:	-87.33
Dipole, Da:	3.53
IP(EA), eV:	-8.48(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methoxy-3-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]boronic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)NCCOCCCOC)Br

DOS

IR

Vibrations