Geometry & MOs

Info

ID:	335765
PubChem CID:	127254627
Reduced:	FN3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-126.56
Dipole, Da:	2.8
IP(EA), eV:	-8.29(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-oxopiperazin-1-yl)-4-(2-phenylmorpholin-4-yl)butane-1,4-dione

Drug info:

PubChemData

Smile

CC(C)C(C1=CC(=C(C=C1)OC)OC)NC(=O)NCCC2=CNC3=C2C=C(C=C3)F

DOS

IR

Vibrations