Geometry & MOs

Info

ID:	170080
PubChem CID:	75193835
Reduced:	O3N4H24C28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	452.125133
ΔH_f, kcal/mol:	-5.79
Dipole, Da:	7.08
IP(EA), eV:	-8.81(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(4-chlorophenyl)-5-(methoxymethyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)C(=CC3=C(NN(C3=O)C4=CC=CC=C4)CC5=CC=CC=C5)NC2=O

DOS

IR

Vibrations