Geometry & MOs

Info

ID:	29817
PubChem CID:	837529
Reduced:	SN2O4C13H14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	309.172879
ΔH_f, kcal/mol:	-94.73
Dipole, Da:	7.9
IP(EA), eV:	-8.55(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)/C=C/2\C(=O)NC(=S)N2)OC)OC

DOS

IR

Vibrations