Geometry & MOs

Info

ID:	137550
PubChem CID:	52226641
Reduced:	N3O3H25C26 (1)
Stoich.:	A3B3C25D26 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-28.33
Dipole, Da:	7.02
IP(EA), eV:	-8.4(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)C2=CC=CO2)C(=O)NC[C@@H](C3=CC=CC=C3)C4=CNC5=CC=CC=C54

DOS

IR

Vibrations