Geometry & MOs

Info

ID:	172267
PubChem CID:	75487203
Reduced:	BNO5C17H22 (1)
Stoich.:	ABC5D17E22 (1)
Weight, g/mol:	291.180587
ΔH_f, kcal/mol:	-279.41
Dipole, Da:	3.21
IP(EA), eV:	-8.75(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)N3CC(CC3=O)C(=O)O

DOS

IR

Vibrations