Geometry & MOs

Info

ID:	283507
PubChem CID:	103986346
Reduced:	F3O3C13H13 (1)
Stoich.:	A3B3C13D13 (1)
Weight, g/mol:	224.152478
ΔH_f, kcal/mol:	-262.04
Dipole, Da:	6.19
IP(EA), eV:	-9.53(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethylpyrazol-4-yl)-3-(oxolan-3-yl)propan-2-ol

Drug info:

PubChemData

Smile

C1COCC1CC(=O)C2=CC=CC=C2OC(F)(F)F

DOS

IR

Vibrations