Geometry & MOs

Info

ID:	417542
PubChem CID:	135100735
Reduced:	NO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-106.53
Dipole, Da:	2.85
IP(EA), eV:	-9.74(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-benzyl-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C(=O)CCCC(=O)C3=CC=CC=C3

DOS

IR

Vibrations