Geometry & MOs

Info

ID:	124585
PubChem CID:	50888264
Reduced:	NO5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	418.140783
ΔH_f, kcal/mol:	-199.59
Dipole, Da:	10.17
IP(EA), eV:	-9.16(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one

Drug info:

PubChemData

Smile

CCOC(=O)CCC(=O)NC1=CC2=C(COC2=O)C=C1

DOS

IR

Vibrations