Geometry & MOs

Info

ID:	140130
PubChem CID:	52651980
Reduced:	SO3N4C23H24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	437.267842
ΔH_f, kcal/mol:	-45.71
Dipole, Da:	8.09
IP(EA), eV:	-9.29(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylphenyl)-2-[4-[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCCCCC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)NC(=O)[C@H]3CC4=CC=CC=C4O3

DOS

IR

Vibrations