Geometry & MOs

Info

ID:	193963
PubChem CID:	78460346
Reduced:	O2N5H12C16 (1)
Stoich.:	A2B5C12D16 (1)
Weight, g/mol:	384.179755
ΔH_f, kcal/mol:	88.23
Dipole, Da:	2.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.319502
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-5-[[5-ethyl-2-(4-methoxyphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NN=N2)C=CNC3=CC=CC=C3C(=O)[O-]

DOS

IR

Vibrations