Geometry & MOs

Info

ID:	257605
PubChem CID:	103147328
Reduced:	F2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	352.0598
ΔH_f, kcal/mol:	-178.49
Dipole, Da:	4.12
IP(EA), eV:	-9.46(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2,5-diethylpyrazol-3-yl)-4-(2,2-difluoroethoxy)butan-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)CCOCC(F)F)C

DOS

IR

Vibrations