Geometry & MOs

Info

ID:	420299
PubChem CID:	135112322
Reduced:	O2N5C13H17 (1)
Stoich.:	A2B5C13D17 (1)
Weight, g/mol:	381.134301
ΔH_f, kcal/mol:	-25.19
Dipole, Da:	1.5
IP(EA), eV:	-9.33(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[2-(4-chloro-2-methylphenoxy)acetyl]-3-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=NC=CN3

DOS

IR

Vibrations