Geometry & MOs

Info

ID:	30702
PubChem CID:	841746
Reduced:	FNOSH16C19 (1)
Stoich.:	ABCDE16F19 (1)
Weight, g/mol:	343.133907
ΔH_f, kcal/mol:	-30.55
Dipole, Da:	1.53
IP(EA), eV:	-8.82(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(N1C(=O)C3=CSC4=CC=CC=C43)C=CC(=C2)F

DOS

IR

Vibrations