Geometry & MOs

Info

ID:	340566
PubChem CID:	127262577
Reduced:	ClNC6H10 (2)
Stoich.:	ABC6D10 (2)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-57.41
Dipole, Da:	5.21
IP(EA), eV:	-8.92(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(2R)-piperidin-2-yl]benzoate

Drug info:

PubChemData

Smile

C1CNCCC1C2=CC=CC(=C2)CN.Cl.Cl

DOS

IR

Vibrations