Geometry & MOs

Info

ID:	124595
PubChem CID:	50888684
Reduced:	ON2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	510.226705
ΔH_f, kcal/mol:	-14.72
Dipole, Da:	4.78
IP(EA), eV:	-8.57(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-ethoxy-3-methoxyphenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

CCC1=C(NN(C1=O)C2=C(C=CC(=C2)C)C)C

DOS

IR

Vibrations