Geometry & MOs

Info

ID:	254445
PubChem CID:	103125319
Reduced:	BrClON3H9C14 (1)
Stoich.:	ABCD3E9F14 (1)
Weight, g/mol:	242.060389
ΔH_f, kcal/mol:	58.23
Dipole, Da:	4.17
IP(EA), eV:	-9.59(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluoropyridin-4-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)Cl)CC(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations