Geometry & MOs

Info

ID:	257604
PubChem CID:	103147321
Reduced:	F2O2N3C13H13 (1)
Stoich.:	A2B2C3D13E13 (1)
Weight, g/mol:	242.111836
ΔH_f, kcal/mol:	-91.4
Dipole, Da:	1.87
IP(EA), eV:	-9.87(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-difluoroethoxy)-1-(2,3-dimethylphenyl)propan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=CN=N2)C(=O)CCOCC(F)F

DOS

IR

Vibrations