Geometry & MOs

Info

ID:	257599
PubChem CID:	103147291
Reduced:	ClF2N2O2C11H15 (1)
Stoich.:	AB2C2D2E11F15 (1)
Weight, g/mol:	272.122401
ΔH_f, kcal/mol:	-168.53
Dipole, Da:	2.12
IP(EA), eV:	-9.28(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-difluoroethoxy)-1-(4-propan-2-yloxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NN(C(=C1Cl)CC(=O)CCOCC(F)F)C

DOS

IR

Vibrations