Geometry & MOs

Info

ID:	254804
PubChem CID:	103127804
Reduced:	SN4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	334.02294
ΔH_f, kcal/mol:	82.39
Dipole, Da:	8.28
IP(EA), eV:	-8.34(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-5-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine

Drug info:

PubChemData

Smile

CCCNC(CC1=NC=CS1)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations