Geometry & MOs

Info

ID:	416016
PubChem CID:	135089021
Reduced:	FNO2C9H10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	383.173273
ΔH_f, kcal/mol:	-198.36
Dipole, Da:	4.53
IP(EA), eV:	-9.68(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-3-hydroxy-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)C3=CC=C(C=C3)OC(F)F

DOS

IR

Vibrations