Geometry & MOs

Info

ID:	147193
PubChem CID:	53786847
Reduced:	NF4C26H31 (1)
Stoich.:	AB4C26D31 (1)
Weight, g/mol:	257.09644
ΔH_f, kcal/mol:	-177.67
Dipole, Da:	4.35
IP(EA), eV:	-9.8(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dimethylphenyl)-7-fluoropyrazolo[1,5-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

C1CC(CCC1CCC=C(C#N)F)C=CC2CCC(CC2)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations