Geometry & MOs

Info

ID:	275693
PubChem CID:	103817116
Reduced:	ClON3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	270.088353
ΔH_f, kcal/mol:	4.25
Dipole, Da:	4.22
IP(EA), eV:	-9.64(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloropyrazin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)CN(C1CC1)C(=O)C2=CN=C(C=N2)Cl

DOS

IR

Vibrations