Geometry & MOs

Info

ID:	391225
PubChem CID:	135003636
Reduced:	NO2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	330.185219
ΔH_f, kcal/mol:	-36.14
Dipole, Da:	2.23
IP(EA), eV:	-8.78(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

trifluoro-[2-[[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylcarbamoyl]-3-methylbutyl]boranuide

Drug info:

PubChemData

Smile

COC(=O)C(C(C=C)C1=CNC2=CC=CC=C21)[N+](=O)[O-]

DOS

IR

Vibrations