Geometry & MOs

Info

ID:	253328
PubChem CID:	103117747
Reduced:	ON5C13H13 (1)
Stoich.:	AB5C13D13 (1)
Weight, g/mol:	269.12766
ΔH_f, kcal/mol:	57.31
Dipole, Da:	2.28
IP(EA), eV:	-9.79(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclohexyl)pyrazolo[1,5-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C#N)NC(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations