Geometry & MOs

Info

ID:	254982
PubChem CID:	103129102
Reduced:	ON4H12C16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	277.041818
ΔH_f, kcal/mol:	84.85
Dipole, Da:	3.57
IP(EA), eV:	-9.2(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-2-fluorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanol

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)C(C3=C4C=NC=CN4N=C3)O)N=CC=C2

DOS

IR

Vibrations