Geometry & MOs

Info

ID:	303999
PubChem CID:	124491226
Reduced:	NOC6H11 (2)
Stoich.:	ABC6D11 (2)
Weight, g/mol:	171.125929
ΔH_f, kcal/mol:	-104.34
Dipole, Da:	4.23
IP(EA), eV:	-9.16(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[(2R)-piperidin-2-yl]butanoic acid

Drug info:

PubChemData

Smile

C[C@H](CC(=O)N1CCOCC1)[C@@H]2CCCN2

DOS

IR

Vibrations