Geometry & MOs

Info

ID:	302667
PubChem CID:	124391885
Reduced:	N3O7H19C21 (1)
Stoich.:	A3B7C19D21 (1)
Weight, g/mol:	367.116821
ΔH_f, kcal/mol:	-118.19
Dipole, Da:	3.6
IP(EA), eV:	-9.0(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(3-nitro-2-propan-2-yloxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione

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