Geometry & MOs

Info

ID:	248525
PubChem CID:	103082378
Reduced:	ClF2N2O2C11H13 (1)
Stoich.:	AB2C2D2E11F13 (1)
Weight, g/mol:	321.0176
ΔH_f, kcal/mol:	-171.71
Dipole, Da:	2.75
IP(EA), eV:	-10.03(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)Cl)C(=O)NCCOCC(F)F

DOS

IR

Vibrations