Geometry & MOs

Info

ID:	128634
PubChem CID:	51052743
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	413.195071
ΔH_f, kcal/mol:	-59.98
Dipole, Da:	8.33
IP(EA), eV:	-8.97(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(morpholin-4-ylmethyl)-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]pyran-4-one

Drug info:

PubChemData

Smile

CC(C)(C)N1C2=NC(=O)CC(C2=CN1)C3=CC=C(C=C3)OCC(=O)N

DOS

IR

Vibrations