Geometry & MOs

Info

ID:	85724
PubChem CID:	49878504
Reduced:	ClFON5H23C25 (1)
Stoich.:	ABCD5E23F25 (1)
Weight, g/mol:	285.111341
ΔH_f, kcal/mol:	7.46
Dipole, Da:	3.5
IP(EA), eV:	-8.75(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetic acid

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=NC=C(C=C2)Cl)C3=NC4=CC=CC=C4N3CC5=CC(=CC=C5)F

DOS

IR

Vibrations