Geometry & MOs

Info

ID:	310847
PubChem CID:	126588179
Reduced:	NF2O5C21H25 (1)
Stoich.:	AB2C5D21E25 (1)
Weight, g/mol:	383.150842
ΔH_f, kcal/mol:	-255.75
Dipole, Da:	5.81
IP(EA), eV:	-8.57(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[4-ethyl-5-methyl-2-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2OCC)N(C(=O)OC)O)C(F)F

DOS

IR

Vibrations