Geometry & MOs

Info

ID:	343877
PubChem CID:	127267053
Reduced:	O2F3N4C15H15 (1)
Stoich.:	A2B3C4D15E15 (1)
Weight, g/mol:	324.158626
ΔH_f, kcal/mol:	-132.66
Dipole, Da:	7.01
IP(EA), eV:	-9.93(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-6-[2-oxo-2-(4-propylphenyl)ethyl]pyrazolo[4,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=C(C=C1)C#N)OCC2=NC(=NO2)CC(F)(F)F

DOS

IR

Vibrations