Geometry & MOs

Info

ID:	167605
PubChem CID:	74846897
Reduced:	N5O5H23C28 (1)
Stoich.:	A5B5C23D28 (1)
Weight, g/mol:	464.161518
ΔH_f, kcal/mol:	-4.76
Dipole, Da:	9.11
IP(EA), eV:	-9.26(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(4-chlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]methylidene]-3-(3-phenylpropyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCN2C(=O)C(=CC3=C(NN(C3=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)NC2=O

DOS

IR

Vibrations