Geometry & MOs

Info

ID:	254809
PubChem CID:	103127858
Reduced:	SN4C13H14 (1)
Stoich.:	AB4C13D14 (1)
Weight, g/mol:	348.03859
ΔH_f, kcal/mol:	87.61
Dipole, Da:	3.49
IP(EA), eV:	-8.87(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CC(C2=C3C=CC=CN3N=C2)N

DOS

IR

Vibrations