Geometry & MOs

Info

ID:	50267
PubChem CID:	12012783
Reduced:	BO2N3C24H36 (1)
Stoich.:	AB2C3D24E36 (1)
Weight, g/mol:	281.071344
ΔH_f, kcal/mol:	-114.71
Dipole, Da:	2.7
IP(EA), eV:	-9.22(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;[(1R)-4-azido-1-phenylbutyl]-trifluoroboranuide

Drug info:

PubChemData

Smile

B1(O[C@@H]([C@H](O1)C2CCCCC2)C3CCCCC3)[C@H](CCCN=[N+]=[N-])C4=CC=CC=C4

DOS

IR

Vibrations