Geometry & MOs

Info

ID:	126826
PubChem CID:	50980195
Reduced:	SO2N3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	360.216141
ΔH_f, kcal/mol:	-3.23
Dipole, Da:	4.65
IP(EA), eV:	-8.76(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[3-(piperidine-1-carbonyl)pyridin-2-yl]piperazin-1-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(SC=C1)[C@@H]2CCN(C[C@H]2O)C(=O)C3=NC4=C(C=CC=N4)C=C3

DOS

IR

Vibrations