Geometry & MOs

Info

ID:	232260
PubChem CID:	87575824
Reduced:	NO3C9H19 (1)
Stoich.:	AB3C9D19 (1)
Weight, g/mol:	403.153206
ΔH_f, kcal/mol:	-92.52
Dipole, Da:	3.65
IP(EA), eV:	-9.32(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-3,4-dimethyl-6-[(2-nitrophenyl)methylidene]-1-prop-2-ynylpiperazine-2,5-dione

Drug info:

PubChemData

Smile

C=CC[N+](CCCO)(CCCO)[O-]

DOS

IR

Vibrations