Geometry & MOs

Info

ID:	231739
PubChem CID:	87574543
Reduced:	BrO2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	283.062758
ΔH_f, kcal/mol:	-75.48
Dipole, Da:	4.4
IP(EA), eV:	-10.17(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2,2,2-trifluoroacetyl)amino]naphthalen-1-yl]boronic acid

Drug info:

PubChemData

Smile

C1CC(C(C=C1)/C=C/CBr)C(=O)O

DOS

IR

Vibrations