Geometry & MOs

Info

ID:	34496
PubChem CID:	7978548
Reduced:	ClN3O4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	283.157229
ΔH_f, kcal/mol:	-137.37
Dipole, Da:	4.87
IP(EA), eV:	-8.34(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)O[C@H](C)C(=O)NC2=CC=CC=C2OC)Cl

DOS

IR

Vibrations