Geometry & MOs

Info

ID:	29792
PubChem CID:	837333
Reduced:	ClN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	341.126323
ΔH_f, kcal/mol:	-42.23
Dipole, Da:	3.61
IP(EA), eV:	-9.06(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-methylphenoxy)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)O[C@@H](C)C(=O)NC2=C(N=CC=C2)Cl

DOS

IR

Vibrations