Geometry & MOs

Info

ID:	130219
PubChem CID:	51075298
Reduced:	ON2F3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	335.184506
ΔH_f, kcal/mol:	-200.49
Dipole, Da:	4.54
IP(EA), eV:	-9.03(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)CCCNC(=O)CC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations