Geometry & MOs

Info

ID:	29832
PubChem CID:	837653
Reduced:	ClNOF3C15H17 (1)
Stoich.:	ABCD3E15F17 (1)
Weight, g/mol:	283.157229
ΔH_f, kcal/mol:	-217.06
Dipole, Da:	3.13
IP(EA), eV:	-9.3(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide

Drug info:

PubChemData

Smile

C1CCC(C1)CCC(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F

DOS

IR

Vibrations