Geometry & MOs

Info

ID:	291588
PubChem CID:	113446141
Reduced:	O2N4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	246.111676
ΔH_f, kcal/mol:	-18.5
Dipole, Da:	4.91
IP(EA), eV:	-8.65(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1(CCN(C1)C2=NC=CN3C2=CC=N3)C(=O)O

DOS

IR

Vibrations