Geometry & MOs

Info

ID:	254300
PubChem CID:	103124093
Reduced:	BrOSN2H7C8 (1)
Stoich.:	ABCD2E7F8 (1)
Weight, g/mol:	199.074562
ΔH_f, kcal/mol:	10.03
Dipole, Da:	3.82
IP(EA), eV:	-8.9(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-pyrazolo[1,5-a]pyrazin-3-ylpent-3-yn-1-one

Drug info:

PubChemData

Smile

C1=CN(C(=O)N1)CC2=CC(=CS2)Br

DOS

IR

Vibrations