Geometry & MOs

Info

ID:	254547
PubChem CID:	103126048
Reduced:	OSN3C7H7 (1)
Stoich.:	ABC3D7E7 (1)
Weight, g/mol:	270.128075
ΔH_f, kcal/mol:	17.22
Dipole, Da:	4.39
IP(EA), eV:	-8.92(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN(C(=O)N1)CC2=CN=CS2

DOS

IR

Vibrations