Geometry & MOs

Info

ID:	418749
PubChem CID:	135106686
Reduced:	O3N5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	381.194008
ΔH_f, kcal/mol:	-75.36
Dipole, Da:	6.29
IP(EA), eV:	-9.08(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-3-hydroxy-1-(2,4,5-trimethylbenzoyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)CCCN3C=NC4=CC=CC=C4C3=O

DOS

IR

Vibrations