Geometry & MOs

Info

ID:	257603
PubChem CID:	103147308
Reduced:	ClF2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	281.097583
ΔH_f, kcal/mol:	-179.43
Dipole, Da:	4.31
IP(EA), eV:	-9.56(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-difluoroethoxy)-1-(3-phenyltriazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)CC(=O)CCOCC(F)F

DOS

IR

Vibrations