Geometry & MOs

Info

ID:	418922
PubChem CID:	135107120
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	393.155178
ΔH_f, kcal/mol:	-69.54
Dipole, Da:	4.92
IP(EA), eV:	-9.01(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-benzyl-4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations