Geometry & MOs

Info

ID:	402598
PubChem CID:	135056503
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	202.07768
ΔH_f, kcal/mol:	-12.31
Dipole, Da:	2.42
IP(EA), eV:	-8.59(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trifluoro-[(2S)-1-phenylpropan-2-yl]oxyboranuide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C=COCCN(C)C

DOS

IR

Vibrations