Geometry & MOs

Info

ID:	254038
PubChem CID:	103122357
Reduced:	ClON3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	293.104338
ΔH_f, kcal/mol:	-23.21
Dipole, Da:	6.15
IP(EA), eV:	-9.29(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-chloroethyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N(CCCl)C2CCCC2

DOS

IR

Vibrations