Geometry & MOs

Info

ID:	416505
PubChem CID:	135089522
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	332.209993
ΔH_f, kcal/mol:	-129.56
Dipole, Da:	7.25
IP(EA), eV:	-8.65(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-3-hydroxy-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)CC3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations