Geometry & MOs

Info

ID:	29837
PubChem CID:	837681
Reduced:	NO2C20H25 (1)
Stoich.:	AB2C20D25 (1)
Weight, g/mol:	287.132157
ΔH_f, kcal/mol:	-82.21
Dipole, Da:	3.26
IP(EA), eV:	-8.66(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2,4-dimethylphenoxy)-N-(4-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O[C@H](C)C(=O)NC2=C(C=C(C=C2C)C)C)C

DOS

IR

Vibrations