Geometry & MOs

Info

ID:	36503
PubChem CID:	8007704
Reduced:	ON2F4H16C23 (1)
Stoich.:	AB2C4D16E23 (1)
Weight, g/mol:	378.157957
ΔH_f, kcal/mol:	-135.33
Dipole, Da:	3.42
IP(EA), eV:	-9.04(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate

Drug info:

PubChemData

Smile

C1[C@H]2C3=CC=CC=C3O[C@H](N2N=C1C4=CC=C(C=C4)F)C5=CC=CC=C5C(F)(F)F

DOS

IR

Vibrations