Geometry & MOs

Info

ID:	138632
PubChem CID:	52398643
Reduced:	N3O3C17H26 (1)
Stoich.:	A3B3C17D26 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	-97.37
Dipole, Da:	6.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755147
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-(2-phenoxyethyl)acetamide

Drug info:

PubChemData

Smile

CC(C)[NH+]1CCNC(=O)[C@@H]1CC(=O)NCCOC2=CC=CC=C2

DOS

IR

Vibrations