Geometry & MOs

Info

ID:	417055
PubChem CID:	135091233
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	371.149951
ΔH_f, kcal/mol:	-91.68
Dipole, Da:	5.93
IP(EA), eV:	-8.06(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)CCOC3=CC=C(C=C3)OC(C)C

DOS

IR

Vibrations