Geometry & MOs

Info

ID:	255214
PubChem CID:	103130706
Reduced:	BrON3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	180.051047
ΔH_f, kcal/mol:	33.83
Dipole, Da:	4.5
IP(EA), eV:	-9.48(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2,2,2-trifluoro-1-(1-methylpyrazol-3-yl)ethanol

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=C(C=CC=N2)Br)O

DOS

IR

Vibrations