Geometry & MOs

Info

ID:	291584
PubChem CID:	113446072
Reduced:	OSBr2N2H8C12 (1)
Stoich.:	ABC2D2E8F12 (1)
Weight, g/mol:	248.127326
ΔH_f, kcal/mol:	45.84
Dipole, Da:	3.45
IP(EA), eV:	-8.89(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(pyrazolo[1,5-a]pyrazin-4-ylamino)hexanoic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C2=NC3=CC(=CC(=C3O2)N)Br)Br

DOS

IR

Vibrations