Geometry & MOs

Info

ID:	145754
PubChem CID:	53587717
Reduced:	ClOSN3C14H18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	348.204907
ΔH_f, kcal/mol:	3.3
Dipole, Da:	3.77
IP(EA), eV:	-8.68(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-acetylphenoxy)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbutanamide

Drug info:

PubChemData

Smile

CCC1=NN=C(N1C)SC(C)C2=CC(=C(C=C2)OC)Cl

DOS

IR

Vibrations