Geometry & MOs

Info

ID:	254515
PubChem CID:	103125837
Reduced:	OSN2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	258.184447
ΔH_f, kcal/mol:	-7.88
Dipole, Da:	3.02
IP(EA), eV:	-8.72(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclopentyl(pyrazolo[1,5-a]pyrazin-3-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)CN2C=CNC2=O

DOS

IR

Vibrations