Geometry & MOs

Info

ID:	167150
PubChem CID:	74787616
Reduced:	BNSF3C5H6 (1)
Stoich.:	ABCD3E5F6 (1)
Weight, g/mol:	100.06956
ΔH_f, kcal/mol:	-217.14
Dipole, Da:	9.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.797437
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R)-2-methylcyclopropyl]boronic acid

Drug info:

PubChemData

Smile

[B-](C1=C(N=C(S1)C)C)(F)(F)F

DOS

IR

Vibrations