Geometry & MOs

Info

ID:	356072
PubChem CID:	127291108
Reduced:	SO2N3C12H19 (1)
Stoich.:	AB2C3D12E19 (1)
Weight, g/mol:	358.096331
ΔH_f, kcal/mol:	-71.39
Dipole, Da:	3.29
IP(EA), eV:	-9.38(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dichloropyridin-2-yl)-N-(oxan-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN(C)C(=O)NC2CCCOC2

DOS

IR

Vibrations