Geometry & MOs

Info

ID:	257598
PubChem CID:	103147288
Reduced:	F2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	280.079012
ΔH_f, kcal/mol:	-206.68
Dipole, Da:	6.22
IP(EA), eV:	-9.19(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2,5-dimethylpyrazol-3-yl)-4-(2,2-difluoroethoxy)butan-2-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C(=O)CCOCC(F)F

DOS

IR

Vibrations