Geometry & MOs

Info

ID:	253261
PubChem CID:	103117245
Reduced:	N3O4C9H13 (1)
Stoich.:	A3B4C9D13 (1)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	-141.6
Dipole, Da:	7.85
IP(EA), eV:	-10.01(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-aminocyclohexyl)pyrazolo[1,5-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)O)NC(=O)C1=NN(C=C1)C)O

DOS

IR

Vibrations