Geometry & MOs

Info

ID:	370860
PubChem CID:	127341145
Reduced:	ClO2N5C17H22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	338.150954
ΔH_f, kcal/mol:	6.13
Dipole, Da:	2.7
IP(EA), eV:	-8.87(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-chloropyridin-2-yl)piperazin-1-yl]-N-(oxan-4-yl)acetamide

Drug info:

PubChemData

Smile

C1COCCC1C2=NC(=NO2)CN3CCN(CC3)C4=C(C=CC=N4)Cl

DOS

IR

Vibrations