Geometry & MOs

Info

ID:	254647
PubChem CID:	103126704
Reduced:	SN3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	348.03859
ΔH_f, kcal/mol:	74.58
Dipole, Da:	3.04
IP(EA), eV:	-8.72(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4-fluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CC(C2=C3C=CC=CN3N=C2)NC

DOS

IR

Vibrations