Geometry & MOs

Info

ID:	48358
PubChem CID:	10539183
Reduced:	BrO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	253.08899
ΔH_f, kcal/mol:	-86.49
Dipole, Da:	1.79
IP(EA), eV:	-8.23(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,3,3,3-pentafluoro-N-[(1R)-1-phenylethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1O)C)C)OCCBr

DOS

IR

Vibrations