Geometry & MOs

Info

ID:	254390
PubChem CID:	103124959
Reduced:	BrOSN2H7C12 (1)
Stoich.:	ABCD2E7F12 (1)
Weight, g/mol:	306.9415
ΔH_f, kcal/mol:	67.23
Dipole, Da:	2.47
IP(EA), eV:	-9.26(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C(=O)C3=CSC=C3Br

DOS

IR

Vibrations