Geometry & MOs

Info

ID:	172272
PubChem CID:	75487274
Reduced:	BFNO2C15H23 (1)
Stoich.:	ABCD2E15F23 (1)
Weight, g/mol:	375.258089
ΔH_f, kcal/mol:	-204.39
Dipole, Da:	1.64
IP(EA), eV:	-8.75(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propyl]carbamate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)CNCC)F

DOS

IR

Vibrations