Geometry & MOs

Info

ID:	417528
PubChem CID:	135099042
Reduced:	O3N4H20C23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	363.145756
ΔH_f, kcal/mol:	-29.45
Dipole, Da:	5.89
IP(EA), eV:	-9.38(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CO1)NC(=O)C2=NC(=O)C3=CC=CC=C3N2)CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations