Geometry & MOs

Info

ID:	416331
PubChem CID:	135089344
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	385.168936
ΔH_f, kcal/mol:	-41.23
Dipole, Da:	6.97
IP(EA), eV:	-8.83(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-[4-(2-fluorophenyl)benzoyl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C(=O)CN3C(=NC4=CC=CC=C43)C

DOS

IR

Vibrations