Geometry & MOs

Info

ID:	132098
PubChem CID:	51305479
Reduced:	ON3C21H21 (1)
Stoich.:	AB3C21D21 (1)
Weight, g/mol:	347.184506
ΔH_f, kcal/mol:	49.72
Dipole, Da:	4.54
IP(EA), eV:	-9.02(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

C1CN(CC1NC(=O)/C=C/C2=CC=CC=C2C#N)CC3=CC=CC=C3

DOS

IR

Vibrations