Geometry & MOs

Info

ID:	289800
PubChem CID:	104373766
Reduced:	OF3N3C8H12 (1)
Stoich.:	AB3C3D8E12 (1)
Weight, g/mol:	314.02416
ΔH_f, kcal/mol:	-178.43
Dipole, Da:	4.99
IP(EA), eV:	-10.32(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(4-bromo-2,5-diethylpyrazol-3-yl)-1,1,1-trifluoropropan-2-ol

Drug info:

PubChemData

Smile

CC(C)N1C(=NC=N1)C[C@@H](C(F)(F)F)O

DOS

IR

Vibrations