Geometry & MOs

Info

ID:	11430
PubChem CID:	115421
Reduced:	NO2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	410.220557
ΔH_f, kcal/mol:	-125.41
Dipole, Da:	2.6
IP(EA), eV:	-8.27(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-phenylpiperazin-1-yl)-3-(4-propanoylphenoxy)propan-2-yl] acetate

Drug info:

PubChemData

Smile

CCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)OC(=O)C

DOS

IR

Vibrations