Geometry & MOs

Info

ID:	310911
PubChem CID:	126588445
Reduced:	BrNF2O2C20H22 (1)
Stoich.:	ABC2D2E20F22 (1)
Weight, g/mol:	397.166492
ΔH_f, kcal/mol:	-162.8
Dipole, Da:	6.02
IP(EA), eV:	-8.94(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(difluoromethyl)-2-[[2-(difluoromethyl)-4-ethyl-5-methylphenoxy]methyl]phenyl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2Br)NC(=O)CC)C(F)F

DOS

IR

Vibrations