Geometry & MOs

Info

ID:	421666
PubChem CID:	135116398
Reduced:	O2N5H13C14 (1)
Stoich.:	A2B5C13D14 (1)
Weight, g/mol:	321.098806
ΔH_f, kcal/mol:	67.57
Dipole, Da:	4.1
IP(EA), eV:	-9.57(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)C)NCC2=CC3=NON=C3C=C2

DOS

IR

Vibrations