Geometry & MOs

Info

ID:	253713
PubChem CID:	103120156
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	262.142976
ΔH_f, kcal/mol:	-73.17
Dipole, Da:	4.98
IP(EA), eV:	-8.95(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(hydroxymethyl)pentan-3-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)NCCOCCO

DOS

IR

Vibrations