Geometry & MOs

Info

ID:	408452
PubChem CID:	135081218
Reduced:	BrON3C10H12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	208.051128
ΔH_f, kcal/mol:	42.82
Dipole, Da:	1.56
IP(EA), eV:	-9.88(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanol

Drug info:

PubChemData

Smile

CCC(CO)(C1=CC=C(C=C1)Br)N=[N+]=[N-]

DOS

IR

Vibrations