Geometry & MOs

Info

ID:	124502
PubChem CID:	50885644
Reduced:	N2O2C15H15 (2)
Stoich.:	A2B2C15D15 (2)
Weight, g/mol:	470.184172
ΔH_f, kcal/mol:	-34.25
Dipole, Da:	2.28
IP(EA), eV:	-8.36(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-ethoxy-4-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]methyl]benzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NN(C3=O)C4=CC=CC=C4)C)OCC5=CC=CC=C5

DOS

IR

Vibrations