Geometry & MOs

Info

ID:	254937
PubChem CID:	103128799
Reduced:	NOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	293.077596
ΔH_f, kcal/mol:	-25.79
Dipole, Da:	3.38
IP(EA), eV:	-8.94(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrazolo[1,5-a]pyrazin-3-yl-[2-(trifluoromethyl)phenyl]methanol

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(C2=C3C=NC=CN3N=C2)O)OC

DOS

IR

Vibrations