Geometry & MOs

Info

ID:	302666
PubChem CID:	124391884
Reduced:	N3O7H19C21 (1)
Stoich.:	A3B7C19D21 (1)
Weight, g/mol:	425.1223
ΔH_f, kcal/mol:	-117.86
Dipole, Da:	1.61
IP(EA), eV:	-9.01(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations