Geometry & MOs

Info

ID:	276112
PubChem CID:	103820658
Reduced:	SN2O2C11H20 (1)
Stoich.:	AB2C2D11E20 (1)
Weight, g/mol:	293.142722
ΔH_f, kcal/mol:	-91.82
Dipole, Da:	3.98
IP(EA), eV:	-9.43(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-(4-fluoro-2-methylbenzoyl)piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCCC(CCO)CNC(=O)CSCC#N

DOS

IR

Vibrations