Geometry & MOs

Info

ID:	414544
PubChem CID:	135087503
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	377.220223
ΔH_f, kcal/mol:	-59.03
Dipole, Da:	6.72
IP(EA), eV:	-9.25(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[2-(2,3-dimethylphenoxy)-2-methylpropanoyl]-4-hydroxy-3-propylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)C3=CC(=CN3C)C#N)O

DOS

IR

Vibrations