Geometry & MOs

Info

ID:	266544
PubChem CID:	103570072
Reduced:	SO2N3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	237.108897
ΔH_f, kcal/mol:	-40.47
Dipole, Da:	6.91
IP(EA), eV:	-9.34(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2=NC(=C(S2)C(=O)O)C(C)(C)C

DOS

IR

Vibrations