Geometry & MOs

Info

ID:	197680
PubChem CID:	78987152
Reduced:	SO2N4C9H10 (1)
Stoich.:	AB2C4D9E10 (1)
Weight, g/mol:	295.097521
ΔH_f, kcal/mol:	-20.54
Dipole, Da:	7.89
IP(EA), eV:	-9.83(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-chlorobenzoyl)piperidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C(=O)O)SC1=NC=NC2=C1NC=N2

DOS

IR

Vibrations