Geometry & MOs

Info

ID:	257582
PubChem CID:	103147204
Reduced:	F2N2O2C9H10 (1)
Stoich.:	A2B2C2D9E10 (1)
Weight, g/mol:	258.106751
ΔH_f, kcal/mol:	-135.89
Dipole, Da:	4.37
IP(EA), eV:	-10.55(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)butan-2-one

Drug info:

PubChemData

Smile

C1=C(C=NC=N1)C(=O)CCOCC(F)F

DOS

IR

Vibrations