Geometry & MOs

Info

ID:	310912
PubChem CID:	126588448
Reduced:	NO2F4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	347.169685
ΔH_f, kcal/mol:	-277.37
Dipole, Da:	5.83
IP(EA), eV:	-9.16(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2NC(=O)CC)C(F)F)C(F)F

DOS

IR

Vibrations