Geometry & MOs

Info

ID:	253638
PubChem CID:	103119705
Reduced:	ClON3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	282.01162
ΔH_f, kcal/mol:	-2.91
Dipole, Da:	4.48
IP(EA), eV:	-8.95(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations