Geometry & MOs

Info

ID:	48510
PubChem CID:	10852040
Reduced:	O5C17H20 (1)
Stoich.:	A5B17C20 (1)
Weight, g/mol:	304.142307
ΔH_f, kcal/mol:	-177.84
Dipole, Da:	2.25
IP(EA), eV:	-9.51(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,6S)-3-[(3,4-dimethoxyphenyl)methylidene]-6-propan-2-ylpiperazine-2,5-dione

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@@H](O1)O[C@H]3[C@@]2(C=C[C@@H]3O)OCC4=CC=CC=C4)C

DOS

IR

Vibrations