Geometry & MOs

Info

ID:	372041
PubChem CID:	131289735
Reduced:	FN2O2H7C11 (1)
Stoich.:	AB2C2D7E11 (1)
Weight, g/mol:	299.109566
ΔH_f, kcal/mol:	-62.22
Dipole, Da:	5.61
IP(EA), eV:	-9.4(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]boronic acid

Drug info:

PubChemData

Smile

C1C2=C(C=C(C=C2)F)C3=C1NC(=N3)C(=O)O

DOS

IR

Vibrations