Geometry & MOs

Info

ID:	291589
PubChem CID:	113446156
Reduced:	ON2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	244.096026
ΔH_f, kcal/mol:	-21.55
Dipole, Da:	6.1
IP(EA), eV:	-9.0(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclopent-2-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CC1C(=O)O)NC2=NC=CN3C2=CC=N3

DOS

IR

Vibrations