Geometry & MOs

Info

ID:	289795
PubChem CID:	104373724
Reduced:	NOF3C8H8 (1)
Stoich.:	ABC3D8E8 (1)
Weight, g/mol:	196.016971
ΔH_f, kcal/mol:	-180.56
Dipole, Da:	3.77
IP(EA), eV:	-10.14(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2,2,2-trifluoro-1-(5-methylthiophen-3-yl)ethanol

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)[C@@H](C(F)(F)F)O

DOS

IR

Vibrations