Geometry & MOs

Info

ID:	254578
PubChem CID:	103126262
Reduced:	ClN3H14C15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	244.078268
ΔH_f, kcal/mol:	81.97
Dipole, Da:	1.96
IP(EA), eV:	-8.77(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-pyrazolo[1,5-a]pyrazin-3-yl-1-thiophen-2-ylmethanamine

Drug info:

PubChemData

Smile

CNC(C1=CC=CC=C1Cl)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations