Geometry & MOs

Info

ID:	412710
PubChem CID:	135085624
Reduced:	O2C11H18 (1)
Stoich.:	A2B11C18 (1)
Weight, g/mol:	222.106339
ΔH_f, kcal/mol:	-66.91
Dipole, Da:	1.99
IP(EA), eV:	-10.26(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethoxycarbonyl-3,5-dimethylphenyl)boronic acid

Drug info:

PubChemData

Smile

CCCCC[C@H]1[C@H](O1)/C=C/C(=O)C

DOS

IR

Vibrations