Geometry & MOs

Info

ID:	193964
PubChem CID:	78460647
Reduced:	NOC5H6 (4)
Stoich.:	ABC5D6 (4)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-109.55
Dipole, Da:	9.09
IP(EA), eV:	-8.63(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-benzyl-5-ethyl-3-oxo-1H-pyrazol-4-yl)methylidene]-3-butylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(=CC2=C(NN(C2=O)C3=CC=C(C=C3)OC)CC)NC1=O

DOS

IR

Vibrations