Geometry & MOs

Info

ID:	254811
PubChem CID:	103127882
Reduced:	N4H14C17 (1)
Stoich.:	A4B14C17 (1)
Weight, g/mol:	280.078268
ΔH_f, kcal/mol:	118.79
Dipole, Da:	1.25
IP(EA), eV:	-8.79(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzothiophen-7-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanamine

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C(C3=CC4=C(C=CC=N4)C=C3)N

DOS

IR

Vibrations