Geometry & MOs

Info

ID:	84402
PubChem CID:	49866250
Reduced:	OSN3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	426.179087
ΔH_f, kcal/mol:	19.02
Dipole, Da:	5.22
IP(EA), eV:	-8.52(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=S)N/N=C/C2=CC=CO2

DOS

IR

Vibrations