Geometry & MOs

Info

ID:	124501
PubChem CID:	50885551
Reduced:	ClO4H19C27 (1)
Stoich.:	AB4C19D27 (1)
Weight, g/mol:	510.226705
ΔH_f, kcal/mol:	-43.02
Dipole, Da:	2.63
IP(EA), eV:	-9.07(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C2=C(C=CC(=C2)C3=CC=C(O3)/C=C/C(=O)C4=CC=CC=C4)Cl

DOS

IR

Vibrations