Geometry & MOs

Info

ID:	126457
PubChem CID:	50965613
Reduced:	OSN3C17H19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	333.205242
ΔH_f, kcal/mol:	35.57
Dipole, Da:	5.4
IP(EA), eV:	-8.75(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-methoxypropyl)piperazin-1-yl]-N-(2-methylphenyl)-3-oxopropanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)CN(C)CC2=CC(=NN2)C3=CC=CS3

DOS

IR

Vibrations