Geometry & MOs

Info

ID:	302665
PubChem CID:	124391879
Reduced:	N3O7H15C19 (1)
Stoich.:	A3B7C15D19 (1)
Weight, g/mol:	425.1223
ΔH_f, kcal/mol:	-109.09
Dipole, Da:	8.69
IP(EA), eV:	-9.3(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]propanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)O)OC1=C(C=CC=C1[N+](=O)[O-])/C=C\2/C(=O)NN(C2=O)C3=CC=CC=C3

DOS

IR

Vibrations