Geometry & MOs

Info

ID:	167604
PubChem CID:	74846896
Reduced:	N2O2H14C15 (2)
Stoich.:	A2B2C14D15 (2)
Weight, g/mol:	509.169919
ΔH_f, kcal/mol:	-44.94
Dipole, Da:	5.18
IP(EA), eV:	-8.64(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C(=C(N2)C3=CC(=CC=C3)OC)C=C4C(=O)N(C(=O)N4)CCCC5=CC=CC=C5

DOS

IR

Vibrations