Geometry & MOs

Info

ID:	143487
PubChem CID:	53216193
Reduced:	NC16H25 (1)
Stoich.:	AB16C25 (1)
Weight, g/mol:	280.04738
ΔH_f, kcal/mol:	-27.15
Dipole, Da:	1.63
IP(EA), eV:	-8.39(1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-2-fluoro-3-phenylmethoxyphenyl)boronic acid

Drug info:

PubChemData

Smile

CC1=CCN(CC1)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations