Geometry & MOs

Info

ID:	138631
PubChem CID:	52398579
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	320.197417
ΔH_f, kcal/mol:	-38.21
Dipole, Da:	2.86
IP(EA), eV:	-9.41(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](CO)N(CC1=CN=CC=C1)C(=O)C2=CC=CN2

DOS

IR

Vibrations