Geometry & MOs

Info

ID:	160453
PubChem CID:	57309801
Reduced:	OC13H26 (1)
Stoich.:	AB13C26 (1)
Weight, g/mol:	236.12536
ΔH_f, kcal/mol:	-113.45
Dipole, Da:	2.35
IP(EA), eV:	-10.17(3.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-methylbutylsulfanyl)ethoxy]ethoxyboronic acid

Drug info:

PubChemData

Smile

CC1CC(CC(C1)(C)C)CC(C)(C)O

DOS

IR

Vibrations