Geometry & MOs

Info

ID:	302668
PubChem CID:	124391888
Reduced:	N3O5H17C19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	363.085521
ΔH_f, kcal/mol:	-36.32
Dipole, Da:	4.76
IP(EA), eV:	-9.12(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations