Geometry & MOs

Info

ID:	419861
PubChem CID:	135109447
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	339.148201
ΔH_f, kcal/mol:	-51.44
Dipole, Da:	6.42
IP(EA), eV:	-9.3(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-(3-fluoro-2-methoxybenzoyl)-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NOC(=N2)CCCC(=O)N3C[C@H]([C@@H](C3)O)CC4=CC(=NO4)C

DOS

IR

Vibrations